SCHEMBL2931737

SCHEMBL2931737

CC(C)[Si](Oc1cccc(CC(=O)c2ccc(O)cc2)c1)(C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
GRIN2B Q13224 1/20 0.39
RAF1 P04049 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ACHE P22303 2/20 0.37
TAS2R14 Q9NYV8 1/20 0.37

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
SCHEMBL2937613 0.87 NPC1 (0.42) NPC1LMNAHTTPPARGPPARA
SCHEMBL2931609 0.84 FFAR1 (0.43) NPC1LMNAHTTTAAR1PPARG
SCHEMBL5727380 0.81 NPC1 (0.55) NPC1RAB9ALMNAHTTGRIN2B
SCHEMBL2103554 0.80 STS (0.54) NPC1RAB9APPARGPPARA
SCHEMBL6690214 0.74 POLB (0.49) LMNAHTT
SCHEMBL2327318 0.74 TAAR1 (0.45) TAAR1ACHE
SCHEMBL6784674 0.74 PLAU (0.48) NPC1RAB9ALMNAHTTPPARG
SCHEMBL2937591 0.74 NPC1 (0.56) NPC1RAB9A
SCHEMBL6780164 0.73 NPC1 (0.56) NPC1RAB9ALMNAHTT
SCHEMBL30405828 0.73 FFAR4 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501819-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-09-15 EP disclosed
US-7138426-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-11-21 US disclosed
EP-1501819-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-06-21 EP disclosed
US-20050234245-A1 Estrogen receptor modulators MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
EP-1501819-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2003091239-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-11-06 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-20050234245-A1 Estrogen receptor modulators ESRRB, ESR2, GPER1 NPC1 887/4885RAB9A 3871/4885LMNA 873/4885

“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.