SCHEMBL21656972

SCHEMBL21656972

C=CCC(CC)(CC)c1ccc(Oc2ccc(C(=O)O)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.45
▸ GRM2 Q14416 1/20 0.43
▸ CYSLTR1 Q9Y271 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ P2RX3 P56373 3/20 0.41
▸ OPRM1 P35372 4/20 0.40
▸ OPRD1 P41143 4/20 0.40
▸ OPRK1 P41145 3/20 0.40
▸ GRN P28799 2/20 0.40
▸ SORT1 Q99523 2/20 0.40
▸ LIPE Q05469 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HCAR3 P49019 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ RAB9A P51151 1/20 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
SCHEMBL21656859 0.90 OPRM1 (0.49) LMNAP2RX3OPRM1OPRD1OPRK1
SCHEMBL21656977 0.89 LMNA (0.57) MAPTLMNAL3MBTL1P2RX3OPRM1
SCHEMBL21656983 0.88 PDE4B (0.50) MAPTLMNAL3MBTL1LIPE
SCHEMBL21656893 0.88 OPRM1 (0.49) LMNAOPRM1OPRD1OPRK1GRN
SCHEMBL21656866 0.88 LMNA (0.45) LMNAOPRM1OPRD1OPRK1GRN
SCHEMBL23228796 0.88 LMNA (0.42) MAPTLMNALIPEALDH1A1
SCHEMBL20953495 0.81 KDM4E (0.59) MAPTLMNAL3MBTL1LIPEALDH1A1
SCHEMBL19362859 0.81 RAB9A (0.57) MAPTLMNAGRM2CYSLTR1L3MBTL1
SCHEMBL21656878 0.81 PTGER4 (0.41) LMNAL3MBTL1P2RX3ALDH1A1NPC1
SCHEMBL19362910 0.78 RAB9A (0.60) MAPTLMNAL3MBTL1GRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 — — US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 — — US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 — — 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 (3 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-11591289-B2 Aromatic compounds AHR, TYR, MUSK MAPT 2195/4885LMNA 3083/4885GRM2 4787/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAPT 2272/4885LMNA 3327/4885GRM2 4777/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAPT 2272/4885LMNA 3327/4885GRM2 4777/4885

“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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