SCHEMBL12893186

SCHEMBL12893186

CC(C)(C1CCC(c2ccc(OC3CCCCO3)cc2)(c2ccc(OC3CCCCO3)cc2)CC1)C1CCC(c2ccc(OC3CCCCO3)cc2)(c2cccc(OC3CCCCO3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.41
▸ DHFR P00374 1/20 0.38
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ TNK2 Q07912 2/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL15869206 0.91 HSD11B1 (0.38) HSD11B1DHFRTNK2ACP1MEN1
SCHEMBL15869168 0.75 TNK2 (0.37) HSD11B1DHFRTNK2ACP1MEN1
SCHEMBL3184997 0.74 DHFR (0.53) HSD11B1DHFRTNK2SLC6A2SLC6A4
SCHEMBL19442919 0.73 ALDH1A1 (0.47) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL16035757 0.71 HSD11B1 (0.39) HSD11B1DHFROPRM1OPRD1OPRK1
SCHEMBL11937237 0.71 DHFR (0.46) HSD11B1DHFRSLC6A2SLC6A4SLC6A3
SCHEMBL3500438 0.71 TNK2 (0.44) HSD11B1DHFRTNK2ACP1MEN1
SCHEMBL23975531 0.70 DHFR (0.48) HSD11B1DHFROPRM1OPRK1MEN1
SCHEMBL5987851 0.70 DHFR (0.48) HSD11B1DHFRSLC6A2SLC6A4SLC6A3
SCHEMBL7233566 0.70 DHFR (0.48) HSD11B1DHFRSLC6A2SLC6A4SLC6A3

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 8 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-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-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
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
WO-2008033894-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-03-20 — — WO disclosed
WO-2007056500-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-05-18 — — WO 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 HSD11B1 193/4885DHFR 1490/4885OPRM1 341/4885

“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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