SCHEMBL5854087

SCHEMBL5854087

COCOc1ccc(C2COc3cc(OCOC)ccc3C2CCCCCCCCCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.40
PPARD Q03181 13/20 0.40
FFAR1 O14842 9/20 0.40
PPARA Q07869 1/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 1/20 0.33
ROR1 Q01973 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL5854567 0.84 FFAR1 (0.39) PPARGPPARDFFAR1PPARA
SCHEMBL5854871 0.83 PPARG (0.41) PPARGPPARDFFAR1PPARAESR1
SCHEMBL5857617 0.81 PPARG (0.33) PPARGPPARDFFAR1PPARAESR1
SCHEMBL2007995 0.80 CYP3A4 (0.46) PPARGPPARDFFAR1PPARAESR1
SCHEMBL5854096 0.75 ROR1 (0.35) ROR1
SCHEMBL5854607 0.74 PTPN1 (0.36) PPARGPPARDFFAR1PPARAPTPN1
SCHEMBL5854285 0.74 PTPN1 (0.36) PPARGPPARDFFAR1PPARAPTPN1
SCHEMBL5854043 0.73 PTPN1 (0.37) PPARGPPARDFFAR1PPARAPTPN1
SCHEMBL2742797 0.73 CYP3A4 (0.43) PPARGPPARDFFAR1ESR1ESR2
SCHEMBL7588340 0.72 ESR1 (0.47) PPARGPPARDFFAR1PPARAESR1

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.