SCHEMBL5854628

SCHEMBL5854628

COCOc1ccc(C2COc3cc(OCOC)ccc3C2(O)c2ccc(OCCOCCCl)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
MAOB P27338 4/20 0.31
CTNNB1 P35222 1/20 0.31
FFAR1 O14842 1/20 0.31
PTPN1 P18031 1/20 0.31
SCN9A Q15858 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
SCHEMBL5856143 0.91 PPARG (0.32) PPARGPPARDMAOBCTNNB1FFAR1
SCHEMBL7587802 0.91 PPARG (0.33) PPARGPPARDFFAR1PTPN1
SCHEMBL5856395 0.86 PTPN1 (0.37) PTPN1
SCHEMBL7589364 0.84 PPARG (0.33) PPARGPPARDFFAR1PTPN1
SCHEMBL7585298 0.84 PPARG (0.36) PPARGPPARDMAOBFFAR1PTPN1
SCHEMBL5854602 0.82
SCHEMBL7588458 0.82 ESR1 (0.43) MAOB
SCHEMBL7589438 0.79 PTPN1 (0.37) PPARGPPARDPTPN1
SCHEMBL8520642 0.78 PTPN1 (0.34) PTPN1
SCHEMBL7588462 0.78 ESR1 (0.31)

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 PPARG 272/4885PPARD 138/4885MAOB 3818/4885

“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.