SCHEMBL5854516

SCHEMBL5854516

COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCCc2ccc(OCC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.34
PPARG P37231 7/20 0.33
PPARD Q03181 6/20 0.33
FFAR1 O14842 5/20 0.33
RXRA P19793 3/20 0.31
NR1H2 P55055 3/20 0.31
GPR84 Q9NQS5 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
NR1H3 Q13133 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PPARA Q07869 3/20 0.30
AR P10275 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
SCHEMBL5855935 0.86 PTPN1 (0.38) PTPN1PPARGPPARDFFAR1SIGMAR1
SCHEMBL5854700 0.84 MEN1 (0.35) PTPN1PPARGPPARDFFAR1SIGMAR1
SCHEMBL5855990 0.83 PTPN1 (0.31) PTPN1SIGMAR1
SCHEMBL5854712 0.83 PTPN1 (0.33) PTPN1SIGMAR1
SCHEMBL5854989 0.81 PPARG (0.34) PTPN1PPARGPPARDFFAR1SIGMAR1
SCHEMBL5855996 0.81 PPARA (0.35) PTPN1PPARGPPARDFFAR1SIGMAR1
SCHEMBL5854043 0.80 PTPN1 (0.37) PTPN1PPARGPPARDFFAR1SIGMAR1
SCHEMBL7812199 0.80 PPARD (0.39) PTPN1PPARGPPARDFFAR1SIGMAR1
SCHEMBL5855986 0.79 PTPN1 (0.31) PTPN1
SCHEMBL5856488 0.79 AR (0.33) PPARGPPARDFFAR1PPARAAR

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 PTPN1 384/4885PPARG 272/4885PPARD 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.