SCHEMBL5854907

SCHEMBL5854907

C=C(C(=O)O)c1cccc(C2=C(c3ccc(O)cc3)COc3cc(O)ccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 15/20 0.41
ESR1 P03372 14/20 0.41
PTGS2 P35354 1/20 0.40
ESRRB O95718 1/20 0.37
ESRRA P11474 1/20 0.37
MIF P14174 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
SCHEMBL5854623 0.83 PTGS1 (0.47) ESR2ESR1
SCHEMBL2564011 0.81 ESR1 (0.58) ESR2ESR1PTGS2MIF
SCHEMBL8934596 0.81 ESR1 (0.58) ESR2ESR1PTGS2MIF
SCHEMBL5854900 0.80 ESR1 (0.55) ESR2ESR1MIF
SCHEMBL2566862 0.78 ESR2 (0.45) ESR2ESR1PTGS2MIF
SCHEMBL6909272 0.77 PTGS2 (0.44) ESR2ESR1PTGS2ESRRBESRRA
SCHEMBL2566786 0.75 ESRRB (0.53) ESR2ESR1PTGS2ESRRBESRRA
SCHEMBL2180565 0.74 ESR2 (0.47) ESR2ESR1PTGS2MIF
SCHEMBL2567309 0.72 ESR1 (0.59) ESR2ESR1PTGS2
SCHEMBL2571864 0.72 ESR1 (0.48) ESR2ESR1ESRRBESRRAMIF

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 11 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 claimed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US claimed
CN-1312803-A Novel benzopyran or benzothiopyran derivatives C & C RES LAB (KR) 2001-09-12 CN claimed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP claimed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 WO claimed
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
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
CN-1312803-A Novel benzopyran or benzothiopyran derivatives C & C RES LAB (KR) 2001-09-12 CN 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 ESR2 3/4885ESR1 12/4885PTGS2 1019/4885

“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.