SCHEMBL4053909

SCHEMBL4053909

C[C@H](O)CCOc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 20/20 0.52
PGR P06401 1/20 0.49

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
SCHEMBL3914808 1.00 AR (0.52) ARPGR
SCHEMBL13715691 0.94 AR (0.51) ARPGR
SCHEMBL3915217 0.92 AR (0.50) ARPGR
SCHEMBL3915101 0.91 AR (0.49) ARPGR
SCHEMBL4054180 0.90 AR (0.50) ARPGR
SCHEMBL4201160 0.89 AR (0.55) ARPGR
SCHEMBL3916366 0.86 AR (0.49) ARPGR
SCHEMBL4208126 0.86 AR (0.51) ARPGR
SCHEMBL4196781 0.86 AR (0.51) ARPGR
SCHEMBL4200194 0.86 AR (0.51) ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716110-A1 ANDROGEN RECEPTOR MODULATORS Warner-Lambert Company LLC (US) 2006-11-02 EP claimed
WO-2005080320-A1 ANDROGEN RECEPTOR MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-09-01 WO claimed
US-20050182132-A1 4-oxy-benzonitriles e.g. (1S,4S)-4-(4-Hydroxy-1-methylpentyloxy)-2-trifluoromethylbenzonitrile; acne, alopecia, and oily skin; early puberty, premenstrual syndrome, lung cancer, osteoporosis, hypogonadism, age-related muscle mass decline, hormone-dependent cancer HU LAIN-YEN (US) 2005-08-18 US claimed
US-7576128-B2 Androgen receptor modulators PFIZER INC. (US) 2009-08-18 US disclosed
US-7576128-B2 Androgen receptor modulators PFIZER INC. (US) 2009-08-18 US disclosed
US-7576128-B2 Androgen receptor modulators PFIZER INC. (US) 2009-08-18 US disclosed
US-20050182132-A1 4-oxy-benzonitriles e.g. (1S,4S)-4-(4-Hydroxy-1-methylpentyloxy)-2-trifluoromethylbenzonitrile; acne, alopecia, and oily skin; early puberty, premenstrual syndrome, lung cancer, osteoporosis, hypogonadism, age-related muscle mass decline, hormone-dependent cancer HU LAIN-YEN (US) 2005-08-18 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-20050182132-A1 4-oxy-benzonitriles e.g. (1S,4S)-4-(4-Hydroxy-1-methylpentyloxy)-2-trifluoromethylbenzonitrile; acne, alopecia, and oily skin; early puberty, premenstrual syndrome, lung cancer, osteoporosis, hypogonadism, age-related muscle mass decline, hormone-dependent cancer NR5A1, AR, SHBG AR 2/4885PGR 79/4885

“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.