SCHEMBL5854696

SCHEMBL5854696

COc1ccc2c(c1)OCC(SC)(c1ccc(F)cc1)C2CCCCCCCCCOS(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ABCB1 P08183 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MAOB P27338 3/20 0.31

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
SCHEMBL5854838 0.95 HTR1A (0.33) HTR1AHTR2BSIGMAR1ABCB1
SCHEMBL5854444 0.86 FFAR1 (0.31)
SCHEMBL5854314 0.86 L3MBTL1 (0.34) L3MBTL1HTR1AHTR2BSIGMAR1MAOB
SCHEMBL7123998 0.81 HTR2B (0.37) HTR1AHTR2BSIGMAR1
SCHEMBL5858007 0.80 HTR2B (0.36) HTR1AHTR2BSIGMAR1ABCB1
SCHEMBL7129811 0.80 HTR2B (0.36) HTR1AHTR2BSIGMAR1ABCB1
SCHEMBL5854353 0.80 HTR2B (0.36) HTR1AHTR2BSIGMAR1ABCB1
SCHEMBL5854228 0.80 PPARG (0.33)
SCHEMBL5856294 0.79 HTR1A (0.35) HTR1AHTR2BSIGMAR1ABCB1
SCHEMBL5853938 0.78 HTR1A (0.33) HTR1AHTR2BSIGMAR1

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 3 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

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 L3MBTL1 4418/4885HTR1A 1060/4885HTR2B 2643/4885

“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.