SCHEMBL5856053

SCHEMBL5856053

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 5/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
PLA2G5 P39877 1/20 0.32
CYP19A1 P11511 2/20 0.32
STS P08842 1/20 0.32

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
SCHEMBL5854558 0.85 OPRM1 (0.34) OPRM1OPRD1OPRK1CYP19A1STS
SCHEMBL5855042 0.83 CYP19A1 (0.33) HSD17B3OPRM1OPRD1PLA2G10PLA2G2A
SCHEMBL7257977 0.82 ALOX5 (0.34) OPRM1OPRK1CYP19A1
SCHEMBL5854085 0.81 PTGER2 (0.33) HSD17B3OPRM1OPRD1CYP19A1STS
SCHEMBL7263350 0.80 ALOX5 (0.34)
SCHEMBL5855196 0.79 ALOX5 (0.34)
SCHEMBL7816173 0.79 ESR1 (0.37)
SCHEMBL7815801 0.79 ESR1 (0.37)
SCHEMBL7819407 0.79 ESR1 (0.37)
SCHEMBL7257972 0.79 PTGER2 (0.35) HSD17B3

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 2 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

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 HSD17B3 82/4885OPRM1 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.