SCHEMBL16418592

SCHEMBL16418592

COc1ccc(C(C)(C)C)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.41
▸ GRIN3B O60391 2/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2A Q12879 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ GRIN2C Q14957 2/20 0.41
▸ GRIN3A Q8TCU5 2/20 0.41
▸ RECQL P46063 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ KDM4E B2RXH2 6/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ G6PD P11413 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL15043728 0.72 DAO (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17403519 0.72 ALDH1A1 (0.40) KDM4EMAPTDAOLMNAPOLB
SCHEMBL14407063 0.72 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26262597 0.71 DAO (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26018675 0.71 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14333566 0.71 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26262605 0.71 ERCC1 (0.40) KDM4EHTTDAOTDP1LMNA
SCHEMBL26262598 0.71 DAO (0.38) KDM4EMAPTDAOTDP1LMNA
SCHEMBL26262607 0.71 ALDH1A1 (0.39) CYP19A1KDM4EHTTMAPTDAO
SCHEMBL10749314 0.71 KDM4E (0.62) KDM4EMAPTLMNAALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 — — US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 — — 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 (1 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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 GRIN2D 946/4885GRIN3B 908/4885GRIN1 322/4885

“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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