SCHEMBL10202032

SCHEMBL10202032

COc1cc(F)c(C(C)(C)C)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
NQO2 P16083 2/20 0.39
CYP1A1 P04798 4/20 0.39
CYP1B1 Q16678 4/20 0.39
CYP1A2 P05177 2/20 0.39
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
CYP3A4 P08684 2/20 0.34
ESR1 P03372 2/20 0.34
TTR P02766 2/20 0.34
ALOX5 P09917 2/20 0.34
PTGS2 P35354 2/20 0.34
NFE2L2 Q16236 2/20 0.34
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL25946862 0.87 TAAR1 (0.41) TAAR1ALDH1A1CA1CA2NQO2
SCHEMBL26710064 0.82 TAAR1 (0.38) TAAR1ALDH1A1CA1CA2NQO2
SCHEMBL14767338 0.81 TAAR1 (0.47) TAAR1ALDH1A1CA1CA2NQO2
SCHEMBL1474395 0.80 TAAR1 (0.42) TAAR1ALDH1A1CA1CA2NQO2
SCHEMBL22043270 0.79 TAAR1 (0.41) TAAR1ALDH1A1CA1CA2NQO2
SCHEMBL13765796 0.79 TAAR1 (0.46) TAAR1ALDH1A1CA1CA2NQO2
SCHEMBL13765722 0.77 TAAR1 (0.44) TAAR1ALDH1A1CA1CA2CYP1A1
SCHEMBL21718780 0.77 TAAR1 (0.32) TAAR1
SCHEMBL1476208 0.77 HSD11B1 (0.41) TAAR1ALDH1A1CA1CA2NQO2
SCHEMBL1474459 0.77 TAAR1 (0.40) TAAR1ALDH1A1CA1CA2NQO2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. 2022-05-26 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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 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-9248203-B2 Fluorescent imaging with substituted cyanine dyes LI-COR, INC. (US) 2016-02-02 US disclosed
US-9089603-B2 Fluorescent imaging with substituted cyanine dyes LI-COR, INC. (US) 2015-07-28 US disclosed
US-20130280172-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES MIDCAP FINANCIAL TRUST 2013-10-24 US disclosed
US-20130039860-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES LI-COR, INC. (US) 2013-02-14 US disclosed
WO-2012054784-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES LI-COR, INC. (US) 2012-04-26 WO disclosed
US-20100292232-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SALK INSTITUTE FOR BIOLOGICAL STUDIES 2010-11-18 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 (13 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-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 TAAR1 2606/4885ALDH1A1 4878/4885CA1 4728/4885
US-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A TAAR1 3520/4885ALDH1A1 2786/4885CA1 4430/4885
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 TAAR1 817/4885ALDH1A1 525/4885CA1 2325/4885
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 TAAR1 4578/4885ALDH1A1 1197/4885CA1 3553/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP TAAR1 677/4885ALDH1A1 814/4885CA1 4274/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK TAAR1 910/4885ALDH1A1 894/4885CA1 4296/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK TAAR1 910/4885ALDH1A1 894/4885CA1 4296/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 TAAR1 817/4885ALDH1A1 525/4885CA1 2325/4885
US-20130280172-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES TIE1, ALG1, MSR1 TAAR1 1523/4885ALDH1A1 1642/4885CA1 1113/4885
US-20130039860-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES TIE1, ALG1, MSR1 TAAR1 1523/4885ALDH1A1 1642/4885CA1 1113/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP TAAR1 677/4885ALDH1A1 814/4885CA1 4274/4885
US-20100292232-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS TYMP, POLRMT, PNP TAAR1 4637/4885ALDH1A1 1012/4885CA1 4676/4885
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT TRPM5, TRPM6, TRPM2 TAAR1 3175/4885ALDH1A1 1357/4885CA1 2104/4885

“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.