SCHEMBL5858091

SCHEMBL5858091

CCCCCC(C)(C(=O)O)C1c2ccc(O)cc2SCC1(C)c1ccc(O)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.33
CYP19A1 P11511 2/20 0.32
OPRM1 P35372 11/20 0.31
OPRD1 P41143 11/20 0.31
OPRK1 P41145 11/20 0.31
SIGMAR1 Q99720 11/20 0.31
STS P08842 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
SCHEMBL7813213 0.83 ESR1 (0.33) ESR1
SCHEMBL6935467 0.83 ESR1 (0.33) ESR1
SCHEMBL7819319 0.83 ESR1 (0.33) ESR1
SCHEMBL7812177 0.82 ESR1 (0.31) ESR1
SCHEMBL6937839 0.82 ESR1 (0.34) ESR1
SCHEMBL7258675 0.77 ESR1 (0.32) ESR1
SCHEMBL7816173 0.75 ESR1 (0.37) ESR1
SCHEMBL7815801 0.75 ESR1 (0.37) ESR1
SCHEMBL5856053 0.74 HSD17B3 (0.33) CYP19A1OPRM1OPRD1OPRK1STS
SCHEMBL7819407 0.73 ESR1 (0.37) ESR1

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-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
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 12/4885CYP19A1 4/4885OPRM1 354/4885

“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.