SCHEMBL4853888

SCHEMBL4853888

CCCCC1CCc2cc(OC)ccc2C1=O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 6/20 0.65
▸ CYP27A1 Q02318 3/20 0.65
▸ CYP26A1 O43174 3/20 0.61
▸ CYP19A1 P11511 3/20 0.61
▸ THRA P10827 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ METAP1 P53582 2/20 0.52
▸ SGPL1 O95470 1/20 0.48
▸ S1PR1 P21453 1/20 0.48

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
SCHEMBL8028175 0.90 CYP19A1 (0.61) CYP24A1CYP27A1CYP26A1CYP19A1THRA
SCHEMBL2424817 0.86 METAP1 (0.65) CYP24A1CYP27A1CYP26A1CYP19A1THRA
SCHEMBL630276 0.86 CYP24A1 (0.70) CYP24A1CYP27A1CYP26A1CYP19A1THRA
SCHEMBL4623118 0.85 CYP24A1 (0.63) CYP24A1CYP27A1CYP26A1CYP19A1THRA
SCHEMBL7166421 0.84 CYP24A1 (0.61) CYP24A1CYP27A1CYP26A1CYP19A1THRA
SCHEMBL29130764 0.83 METAP1 (0.64) CYP24A1CYP27A1CYP26A1CYP19A1THRA
SCHEMBL14159089 0.82 CYP24A1 (0.69) CYP24A1CYP27A1CYP26A1CYP19A1THRA
SCHEMBL14165623 0.82 CYP24A1 (0.66) CYP24A1CYP27A1CYP26A1CYP19A1THRA
SCHEMBL15904627 0.82 CYP24A1 (0.59) CYP24A1CYP27A1CYP26A1CYP19A1THRA
SCHEMBL4621209 0.82 CYP24A1 (0.65) CYP24A1CYP27A1CYP26A1CYP19A1METAP1

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
US-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 — — US disclosed
US-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 — — US disclosed
US-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 — — US disclosed
US-20060041003-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2006-02-23 — — US disclosed
EP-1551820-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-07-13 — — EP disclosed
WO-2004026887-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-04-01 — — 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-20060041003-A1 Estrogen receptor modulators GPER1, ESR2, ESR1 CYP24A1 319/4885CYP27A1 279/4885CYP26A1 645/4885

“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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