SCHEMBL13952149

SCHEMBL13952149

C[C@]12CCC3c4ccc(C#N)c(F)c4CCC3C1CC[C@@]2(O)CC#Cc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STS P08842 15/20 0.50
ESR1 P03372 3/20 0.40
ABCB11 O95342 1/20 0.39
NR3C2 P08235 1/20 0.39
CYP19A1 P11511 2/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL30291860 0.86 STS (0.65) STS
SCHEMBL13952013 0.86 STS (0.65) STS
SCHEMBL13952156 0.84 STS (0.56) STSESR1ABCB11CYP19A1ESR2
SCHEMBL13952017 0.83 STS (0.56) STS
SCHEMBL13952148 0.82 STS (0.56) STSESR1ABCB11CYP19A1ESR2
SCHEMBL13952015 0.82 STS (0.54) STS
SCHEMBL13952014 0.81 STS (0.53) STS
SCHEMBL13951924 0.79 STS (0.69) STS
SCHEMBL13951951 0.77 STS (0.59) STS
SCHEMBL13951888 0.77 STS (0.56) STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042844-A1 17ALPHA-SUBSTITUTED STEROIDS AS SYSTEMIC ANTIANDROGENS AND SELECTIVE ANDROGEN RECEPTOR MODULATORS ENDORECHERCHE, INC. 2009-02-12 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-20090042844-A1 17ALPHA-SUBSTITUTED STEROIDS AS SYSTEMIC ANTIANDROGENS AND SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR5A1, SRD5A1 STS 142/4885ESR1 218/4885ABCB11 905/4885

“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.