SCHEMBL5857302

SCHEMBL5857302

COCOc1ccc2c(c1)OCC(C)(c1ccc(C(=O)OC)cc1)C2CCCCCCCCCSCCCC(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
CYP3A4 P08684 1/20 0.30
EGFR P00533 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
SCHEMBL7588543 0.92 PTPN1 (0.31)
SCHEMBL7587357 0.92 PTPN1 (0.31)
SCHEMBL5855945 0.89 ESR1 (0.37) ESR1ESR2RARBRARGCYP3A4
SCHEMBL5856257 0.88 FFAR1 (0.31)
SCHEMBL5854405 0.87 ESR1 (0.35) ESR1
SCHEMBL5855346 0.85 CYP4A11 (0.35) RARBRARGCYP3A4EGFR
SCHEMBL5854363 0.83
SCHEMBL5855073 0.83
SCHEMBL6938349 0.82 ESR1 (0.32) ESR1
SCHEMBL5854829 0.82 PTPN1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ESR1 12/4885ESR2 3/4885RARB 641/4885

“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.