SCHEMBL5856046

SCHEMBL5856046

CC1(c2ccc(O)cc2)COc2cc(O)ccc2C1c1ccc(OCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.40
HDAC6 Q9UBN7 3/20 0.37
HDAC1 Q13547 1/20 0.37
ESR2 Q92731 9/20 0.34
AR P10275 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
SCHEMBL5855904 1.00 ESR1 (0.40) ESR1HDAC6HDAC1ESR2AR
SCHEMBL5854563 1.00 ESR1 (0.40) ESR1HDAC6HDAC1ESR2AR
SCHEMBL5855606 0.99 ESR1 (0.39) ESR1HDAC6HDAC1ESR2
SCHEMBL5854160 0.97 ESR1 (0.38) ESR1HDAC6HDAC1ESR2
SCHEMBL5854837 0.88 ESR1 (0.41) ESR1HDAC6HDAC1ESR2
SCHEMBL7262175 0.88 ESR1 (0.37) ESR1
SCHEMBL7257957 0.88 ESR1 (0.37) ESR1
SCHEMBL7258205 0.88 ESR1 (0.37) ESR1
SCHEMBL7262416 0.87 ESR1 (0.36) ESR1ESR2
SCHEMBL5856298 0.85 ESR1 (0.40) ESR1HDAC6HDAC1ESR2AR

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 ESR1 12/4885HDAC6 1995/4885HDAC1 219/4885

“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.