SCHEMBL5855346

SCHEMBL5855346

COCOc1ccc2c(c1)OCC(C)(c1ccc(C(=O)OC)cc1)C2CCCCCCCCCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.35
CYP4F2 P78329 2/20 0.35
EGFR P00533 1/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 3/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
HIF1A Q16665 2/20 0.32
MDH1 P40925 1/20 0.32
MDH2 P40926 1/20 0.32
EP300 Q09472 1/20 0.32
EPAS1 Q99814 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
SCHEMBL5854607 0.91 PTPN1 (0.36) PTPN1FFAR1PPARGPPARD
SCHEMBL5854285 0.91 PTPN1 (0.36) PTPN1FFAR1PPARGPPARD
SCHEMBL5854043 0.90 PTPN1 (0.37) PTPN1FFAR1PPARGPPARD
SCHEMBL5854239 0.88 ALDH1A1 (0.34) EGFRCYP3A4RARBRARGMAPT
SCHEMBL5857148 0.87 EGFR (0.33) EGFRCYP3A4RARBRARGMAPT
SCHEMBL5854163 0.87 PTPN1 (0.37) PTPN1FFAR1PPARGPPARD
SCHEMBL5857302 0.85 ESR1 (0.31) EGFRCYP3A4RARBRARG
SCHEMBL6788841 0.84 PPARG (0.34) PTPN1FFAR1PPARGPPARD
SCHEMBL7812199 0.84 PPARD (0.39) PTPN1TSHRFFAR1PPARGPPARD
SCHEMBL5856744 0.82 HTR2B (0.41) CYP3A4MAPT

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 CYP4A11 71/4885CYP4F2 147/4885EGFR 3343/4885

“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.