SCHEMBL5854250

SCHEMBL5854250

CC1(c2ccc(O)cc2)COc2cc(O)ccc2C1CCCNCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.30
ESR1 P03372 2/20 0.30
NR1I2 O75469 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
ESRRA P11474 1/20 0.30
EPHX2 P34913 1/20 0.30
PPARG P37231 1/20 0.30
ESR2 Q92731 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
SIRT5 Q9NXA8 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7588501 0.94 ESR1 (0.34) TMEM97ESR1NR1I2NR3C1PGR
SCHEMBL7589349 0.94 ESR1 (0.34) TMEM97ESR1NR1I2NR3C1PGR
SCHEMBL5855127 0.88 ESR1 (0.34) ESR1NR1I2NR3C1PGRESRRA
SCHEMBL5856278 0.88 ESR1 (0.33) TMEM97ESR1NR1I2NR3C1PGR
SCHEMBL5854261 0.88 ESR1 (0.34) TMEM97ESR1NR1I2NR3C1PGR
SCHEMBL5854386 0.88 ESR1 (0.33) TMEM97ESR1NR1I2NR3C1PGR
SCHEMBL5854246 0.87 ESR1 (0.33) TMEM97ESR1NR1I2NR3C1PGR
SCHEMBL5857068 0.87 ESR1 (0.32) TMEM97ESR1NR1I2NR3C1PGR
SCHEMBL5854548 0.87 ESR1 (0.33) ESR1NR1I2NR3C1PGRESRRA
SCHEMBL5856990 0.86

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 US claimed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP claimed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 WO 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 TMEM97 1587/4885ESR1 12/4885NR1I2 72/4885

“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.