SCHEMBL5854536

SCHEMBL5854536

COc1ccc(C2(C)CSc3cc(OC)ccc3C2CCCCCC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 2/20 0.38
LTB4R Q15722 3/20 0.37
PPARD Q03181 3/20 0.37
FFAR1 O14842 3/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PDE4B Q07343 1/20 0.37
RORC P51449 3/20 0.35
HSD11B1 P28845 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL5854254 1.00 PTGFR (0.38) PTGFRLTB4RPPARDFFAR1PPARG
SCHEMBL5853638 0.94 PTGFR (0.35) PTGFRLTB4RPPARDFFAR1PPARG
SCHEMBL5854532 0.91 TBXA2R (0.35) PPARG
SCHEMBL5854345 0.88 SIGMAR1 (0.34)
SCHEMBL5855958 0.88 SIGMAR1 (0.34)
SCHEMBL7123993 0.86 MTNR1A (0.35) PPARD
SCHEMBL5854323 0.85 SIGMAR1 (0.34)
SCHEMBL5854294 0.85 SIGMAR1 (0.34)
SCHEMBL7129806 0.85 SIGMAR1 (0.34)
SCHEMBL5856289 0.85 SIGMAR1 (0.33)

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 PTGFR 629/4885LTB4R 2860/4885PPARD 138/4885

“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.