SCHEMBL6909272

SCHEMBL6909272

C=CC(=O)Oc1cccc(C2=C(c3ccc(O)cc3)COc3cc(O)ccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
ESR1 P03372 13/20 0.39
ESR2 Q92731 13/20 0.39
ESRRB O95718 1/20 0.38
ESRRA P11474 1/20 0.38
MIF P14174 2/20 0.37
PTGS1 P23219 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
SCHEMBL2566786 0.82 ESRRB (0.53) PTGS2ESR1ESR2ESRRBESRRA
SCHEMBL2180565 0.77 ESR2 (0.47) PTGS2ESR1ESR2MIFPTGS1
SCHEMBL2564011 0.77 ESR1 (0.58) PTGS2ESR1ESR2MIFPTGS1
SCHEMBL8934596 0.77 ESR1 (0.58) PTGS2ESR1ESR2MIFPTGS1
SCHEMBL5854907 0.77 ESR2 (0.41) PTGS2ESR1ESR2ESRRBESRRA
SCHEMBL2566862 0.76 ESR2 (0.45) PTGS2ESR1ESR2MIFPTGS1
SCHEMBL5854900 0.76 ESR1 (0.55) ESR1ESR2MIF
SCHEMBL2571864 0.75 ESR1 (0.48) ESR1ESR2ESRRBESRRAMIF
SCHEMBL243923 0.73 ESR1 (0.54) ESR1ESR2ESRRBESRRAPTGS1
SCHEMBL2567309 0.71 ESR1 (0.59) PTGS2ESR1ESR2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 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-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives NR5A1, SHBG, ESR2 PTGS2 1019/4885ESR1 12/4885ESR2 3/4885

“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.