SCHEMBL5854085

SCHEMBL5854085

CCCC(CCCCC(=O)O)C1c2ccc(O)cc2SCC1(C)c1ccc(O)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CYP19A1 P11511 2/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
LTB4R Q15722 1/20 0.30
HTT P42858 1/20 0.30
HSD17B3 P37058 1/20 0.30
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL5855042 0.96 CYP19A1 (0.33) PTGER2OPRM1OPRD1CYP19A1PTGER4
SCHEMBL7263350 0.88 ALOX5 (0.34)
SCHEMBL7257972 0.86 PTGER2 (0.35) PTGER2PTGER4PTGER3HTTHSD17B3
SCHEMBL7257977 0.84 ALOX5 (0.34) OPRM1CYP19A1
SCHEMBL5854340 0.78 STS (0.34) PTGER2OPRM1OPRD1CYP19A1PTGER4
SCHEMBL5854000 0.78 STS (0.34) PTGER2OPRM1OPRD1CYP19A1PTGER4
SCHEMBL5857175 0.78 STS (0.34) PTGER2OPRM1OPRD1CYP19A1PTGER4
SCHEMBL5854259 0.78 STS (0.34) PTGER2OPRM1OPRD1CYP19A1PTGER4
SCHEMBL5854573 0.78 STS (0.34) PTGER2OPRM1OPRD1CYP19A1PTGER4
SCHEMBL5856005 0.77 EDNRB (0.32)

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 PTGER2 348/4885OPRM1 354/4885OPRD1 85/4885

“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.