SCHEMBL7085013

SCHEMBL7085013

COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2C/C=C/CCCCCCC(CCCCCCC(F)(F)C(F)(F)F)C(=O)O)cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
AR P10275 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
SCHEMBL7085015 1.00 ESR1 (0.33) ESR1AR
SCHEMBL6938216 0.94 CYP3A4 (0.30)
SCHEMBL5855328 0.91
SCHEMBL7081457 0.90 ESR1 (0.38) ESR1AR
SCHEMBL7069770 0.89 ESR1 (0.39) ESR1AR
SCHEMBL5856721 0.85
SCHEMBL5854405 0.84 ESR1 (0.35) ESR1AR
SCHEMBL6938349 0.83 ESR1 (0.32) ESR1
SCHEMBL6932706 0.80 FFAR1 (0.30)
SCHEMBL6932709 0.80 FFAR1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6555571-B2 Hormone inhibitor; sexual disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-29 US disclosed
US-20030013756-A1 3-methyl -chromane or thiochromane derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-01-16 US 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-20030013756-A1 3-methyl -chromane or thiochromane derivatives ESR2, GPER1, NR5A1 ESR1 5/4885AR 26/4885

“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.