SCHEMBL5854668

SCHEMBL5854668

CC1(c2ccc(O)cc2)COc2cc(O)ccc2C1CCCCc1ccc(OCCC(CCCC(F)(F)C(F)(F)F)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.39
GRIN2B Q13224 1/20 0.34
PPARG P37231 3/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
ITGB3 P05106 3/20 0.31
ITGA2B P08514 3/20 0.31
AR P10275 3/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC1 Q13547 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
SCHEMBL6801409 0.89 ESR1 (0.33) ESR1GRIN2B
SCHEMBL5856044 0.88 ESR1 (0.47) ESR1PPARGAR
SCHEMBL5854406 0.88 ESR1 (0.47) ESR1PPARGAR
SCHEMBL5854247 0.88 ESR1 (0.47) ESR1PPARGAR
SCHEMBL5855481 0.88 ESR1 (0.47) ESR1PPARGAR
SCHEMBL5854418 0.88 ESR1 (0.35) ESR1GRIN2BPPARGDRD2DRD1
SCHEMBL5854200 0.87 ESR1 (0.47) ESR1PPARGAR
SCHEMBL5856194 0.87 ESR1 (0.47) ESR1PPARGAR
SCHEMBL5853959 0.87 ESR1 (0.47) ESR1PPARGAR
SCHEMBL5854630 0.87 ESR1 (0.47) ESR1PPARGAR

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-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US claimed
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 ESR1 12/4885GRIN2B 2441/4885PPARG 272/4885

“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.