SCHEMBL14522367

SCHEMBL14522367

CC[C@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.57
ALDH1A1 P00352 1/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
PGR P06401 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL15304162 1.00 AR (0.57) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL2765554 0.88 AR (0.72) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL27650930 0.88 AR (0.72) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL14036039 0.87 AR (0.55) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL2769356 0.87 AR (0.55) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL16471047 0.87 AR (0.55) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL27630726 0.86 AR (0.69) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL27630713 0.84 AR (0.57) ARPGRCYP3A4
SCHEMBL13244698 0.84 AR (0.80) ARPGRCYP3A4
SCHEMBL8409323 0.84 AR (0.80) ARPGRCYP3A4

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-20140011785-A1 LOCALLY ACTIVE \"SOFT\" ANTIANDROGENS YALE UNIVERSITY (US) 2014-01-09 US disclosed
US-7205437-B2 Selective androgen receptor modulators UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-04-17 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-20140011785-A1 LOCALLY ACTIVE \"SOFT\" ANTIANDROGENS SHBG, CYP17A1, CYP19A1 AR 4/4885ALDH1A1 409/4885MEN1 614/4885

“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.