SCHEMBL5854239

SCHEMBL5854239

COCOc1ccc2c(c1)OCC(C)(c1ccc(C(=O)OC)cc1)C2CCCCCCCCCOS(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MAPT P10636 3/20 0.32
GPR119 Q8TDV5 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
CYP3A4 P08684 3/20 0.31
CYP26A1 O43174 2/20 0.31
FFAR1 O14842 2/20 0.31
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
PTPN1 P18031 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL5856161 0.92 ESR1 (0.33) ESR1ESR2FFAR1PPARGPPARD
SCHEMBL5854650 0.92 ESR1 (0.33) ESR1ESR2FFAR1PPARGPPARD
SCHEMBL5854267 0.91 ESR1 (0.34) ESR1ESR2FFAR1PPARGPPARD
SCHEMBL5855346 0.88 CYP4A11 (0.35) MAPTCYP3A4CYP26A1FFAR1PPARG
SCHEMBL5857359 0.88 PPARD (0.33) ESR1ESR2FFAR1PPARGPPARD
SCHEMBL5857148 0.86 EGFR (0.33) ALDH1A1KDM4EMEN1HTTKMT2A
SCHEMBL5857317 0.83 MAOB (0.35) FFAR1PPARGPPARDPTPN1
SCHEMBL5855996 0.82 PPARA (0.35) FFAR1PPARGPPARDPTPN1
SCHEMBL6794452 0.82 ROR1 (0.32) ALDH1A1MAPTCYP3A4TSHR
SCHEMBL7586727 0.81 ESR1 (0.38) ESR1ESR2FFAR1PPARGPPARD

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 ALDH1A1 453/4885KDM4E 1900/4885MEN1 3858/4885

“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.