SCHEMBL5854582

SCHEMBL5854582

COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCCCCCCCSC(C)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.34
PPARD Q03181 8/20 0.34
FFAR1 O14842 4/20 0.34
PTPN1 P18031 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ACHE P22303 1/20 0.32
PPARA Q07869 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL6794448 0.88 CYP3A4 (0.34) PPARGPPARDPTPN1HTR2BSIGMAR1
SCHEMBL7812199 0.86 PPARD (0.39) PPARGPPARDFFAR1PTPN1HTR2B
SCHEMBL5854285 0.86 PTPN1 (0.36) PPARGPPARDFFAR1PTPN1HTR2B
SCHEMBL5854607 0.86 PTPN1 (0.36) PPARGPPARDFFAR1PTPN1HTR2B
SCHEMBL5854043 0.85 PTPN1 (0.37) PPARGPPARDFFAR1PTPN1HTR2B
SCHEMBL5854269 0.84 PTPN1 (0.35) PPARGPPARDFFAR1PTPN1HTR2B
SCHEMBL5854163 0.84 PTPN1 (0.37) PPARGPPARDFFAR1PTPN1HTR2B
SCHEMBL5855214 0.83 PTPN1 (0.35) PPARGPPARDFFAR1PTPN1HTR2B
SCHEMBL5853868 0.82 PTPN1 (0.34) PPARGPPARDFFAR1PTPN1HTR2B
SCHEMBL27560379 0.82 PTPN1 (0.35) PPARGPPARDFFAR1PTPN1HTR2B

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 6 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
CN-1312803-A Novel benzopyran or benzothiopyran derivatives C & C RES LAB (KR) 2001-09-12 CN 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 PPARG 272/4885PPARD 138/4885FFAR1 1133/4885

“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.