SCHEMBL12893236

SCHEMBL12893236

C=C1C=CC(c2ccccc2)(c2ccc(OC)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.49
OPRL1 P41146 7/20 0.49
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
CA4 P22748 1/20 0.37
LTA4H P09960 2/20 0.37
KCNA3 P22001 1/20 0.36
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MAOB P27338 2/20 0.34
TRPA1 O75762 1/20 0.34
MAOA P21397 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
SCHEMBL14260462 0.82 OPRM1 (0.49) OPRM1OPRL1OPRD1OPRK1KCNA3
SCHEMBL5876108 0.75 POLB (0.43) OPRM1OPRL1MAOBMAOA
SCHEMBL5848845 0.70 OPRM1 (0.44) OPRM1OPRL1OPRD1OPRK1CA4
SCHEMBL12893233 0.69 OPRM1 (0.46) OPRM1OPRL1OPRD1OPRK1CA4
SCHEMBL14531844 0.67 PDE4B (0.48) MAOA
SCHEMBL14260464 0.67 PDE4B (0.48) MAOA
SCHEMBL1257256 0.66 OPRM1 (0.59) OPRM1OPRL1OPRD1OPRK1CA4
SCHEMBL3407329 0.66 OPRM1 (1.00) OPRM1OPRL1OPRK1
SCHEMBL12893199 0.66 OPRM1 (0.50) OPRM1OPRL1KCNA3BACE1BACE2
SCHEMBL744007 0.65 MEN1 (0.44) OPRM1OPRL1OPRK1MAOBMAOA

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-8822548-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2014-09-02 US disclosed
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2011-02-24 US disclosed
US-7825265-B2 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene ACADIA PHARMACEUTICALS INC. (US) 2010-11-02 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-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESR2, ESR1, GPER1 OPRM1 341/4885OPRL1 186/4885OPRD1 353/4885

“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.