SCHEMBL18475446

SCHEMBL18475446

CCOc1cccc(OC)c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ KCNK3 O14649 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.40
▸ CALM1 P0DP23 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ TSHR P16473 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3438872 0.85 CA1 (0.52) SMN1; SMN2ALDH1A1MAPTKDM4ECA12
SCHEMBL21718431 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL19574949 0.82 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL21719033 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTGAACA12
SCHEMBL22043309 0.81 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAAHTR2A
SCHEMBL25235901 0.79 MAPT (0.42) ALDH1A1MAPTKDM4EGAACA12
SCHEMBL21718865 0.79 L3MBTL1 (0.49) ALDH1A1MAPTKDM4EGAAHTR2A
SCHEMBL12385967 0.79 L3MBTL1 (0.51) ALDH1A1MAPTGAAHTR2AHTR2C
SCHEMBL21719098 0.79 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPTKDM4ECA12
SCHEMBL22043131 0.79 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EGAAHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 — — US disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 — — US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 — — US disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 — — US disclosed
US-20210246118-A1 SUBSTITUTED PYRIMIDINONES AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2021-08-12 — — US disclosed
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 — — US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 — — US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 — — US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 — — US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 — — US disclosed
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-11-09 — — US disclosed
US-20170281625-A1 METHODS OF TREATING HEART FAILURE AMGEN INC. 2017-10-05 — — US disclosed
US-9751864-B2 Methods for preparing triazole agonists of the APJ receptor AMGEN INC. (US) 2017-09-05 — — US disclosed
US-9656997-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2017-05-23 — — US disclosed
US-9656998-B2 Intermediates for preparing triazole agonists of the APJ receptor AMGEN INC. (US) 2017-05-23 — — US disclosed
US-20170044131-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 — — US disclosed
US-20170042872-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 — — US disclosed
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 — — US disclosed
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 — — US disclosed
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 SMN1; SMN2 4427/4885ALDH1A1 525/4885MAPT 4211/4885
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR SMN1; SMN2 4701/4885ALDH1A1 2364/4885MAPT 4489/4885
US-20170044131-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 SMN1; SMN2 4804/4885ALDH1A1 1773/4885MAPT 4327/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP SMN1; SMN2 3515/4885ALDH1A1 814/4885MAPT 2876/4885
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R SMN1; SMN2 4642/4885ALDH1A1 2409/4885MAPT 4301/4885
US-20170042872-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 SMN1; SMN2 4804/4885ALDH1A1 1773/4885MAPT 4327/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK SMN1; SMN2 3624/4885ALDH1A1 894/4885MAPT 3100/4885
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 SMN1; SMN2 4804/4885ALDH1A1 1773/4885MAPT 4327/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK SMN1; SMN2 3624/4885ALDH1A1 894/4885MAPT 3100/4885
US-20210246118-A1 SUBSTITUTED PYRIMIDINONES AS AGONISTS OF THE APJ RECEPTOR APLNR, AGTR1, AGTR2 SMN1; SMN2 3107/4885ALDH1A1 1619/4885MAPT 4637/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 SMN1; SMN2 4427/4885ALDH1A1 525/4885MAPT 4211/4885
US-20170281625-A1 METHODS OF TREATING HEART FAILURE FABP3, TNNI3, APLNR SMN1; SMN2 4308/4885ALDH1A1 3046/4885MAPT 4742/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP SMN1; SMN2 3515/4885ALDH1A1 814/4885MAPT 2876/4885
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, AGTR1 SMN1; SMN2 4789/4885ALDH1A1 2192/4885MAPT 4434/4885
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 SMN1; SMN2 4804/4885ALDH1A1 1773/4885MAPT 4327/4885
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 SMN1; SMN2 4804/4885ALDH1A1 1773/4885MAPT 4327/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 SMN1; SMN2 3107/4885ALDH1A1 1619/4885MAPT 4637/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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