SCHEMBL7128086

SCHEMBL7128086

COC(=O)C(CCCCCCCC[C@@H]1c2ccc(OC)cc2SC[C@]1(C)c1ccc(OC)cc1)(CCCC(F)(F)C(F)(F)F)C(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.32
MTNR1B P49286 7/20 0.32
NQO2 P16083 6/20 0.32
GAA P10253 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
SCHEMBL5854887 1.00 MTNR1A (0.32) MTNR1AMTNR1BNQO2GAA
SCHEMBL5854225 0.93 ALDH1A1 (0.33)
SCHEMBL5854319 0.93 MTNR1A (0.31) MTNR1AMTNR1BNQO2
SCHEMBL7813218 0.91 SIGMAR1 (0.32)
SCHEMBL5856235 0.87
SCHEMBL6940319 0.87 ESR1 (0.33) MTNR1AMTNR1BNQO2
SCHEMBL7087556 0.87 ESR1 (0.33) MTNR1AMTNR1BNQO2
SCHEMBL5856061 0.85 ESR1 (0.40) MTNR1AMTNR1BNQO2
SCHEMBL5854915 0.85 ESR1 (0.40) MTNR1AMTNR1BNQO2
SCHEMBL5855627 0.84 MTNR1A (0.32) MTNR1AMTNR1BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610733-B2 Antiestrogen, therapeutic agent for breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-26 US disclosed
US-20030125571-A1 Optically active chroman and thiochroman derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-03 US disclosed
EP-1241165-A1 OPTICALLY ACTIVE CHROMAN AND THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP 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-20030125571-A1 Optically active chroman and thiochroman derivatives NR5A1, CYP19A1, SHBG MTNR1A 108/4885MTNR1B 302/4885NQO2 855/4885

“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.