SCHEMBL13952148

SCHEMBL13952148

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 14/20 0.56
ABCB11 O95342 2/20 0.43
CYP19A1 P11511 2/20 0.42
ESR1 P03372 2/20 0.42
CYP3A4 P08684 2/20 0.42
ESR2 Q92731 2/20 0.42
SLC22A2 O15244 1/20 0.42
NR1I2 O75469 1/20 0.42
NR3C1 P04150 1/20 0.42
SHBG P04278 1/20 0.42
PGR P06401 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
ADRB3 P13945 1/20 0.42
CYP2B6 P20813 1/20 0.42
TBXA2R P21731 1/20 0.42
UGT1A1 P22309 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42

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
SCHEMBL13952156 0.86 STS (0.56) STSABCB11CYP19A1ESR1CYP3A4
SCHEMBL30291860 0.85 STS (0.65) STS
SCHEMBL13952013 0.85 STS (0.65) STS
SCHEMBL13951924 0.85 STS (0.69) STS
SCHEMBL13952017 0.84 STS (0.56) STS
SCHEMBL13952149 0.82 STS (0.50) STSABCB11CYP19A1ESR1ESR2
SCHEMBL13952015 0.82 STS (0.54) STS
SCHEMBL29509750 0.82 STS (0.63) STS
SCHEMBL13952014 0.82 STS (0.53) STS
SCHEMBL13952155 0.81 STS (0.46) STSABCB11CYP19A1ESR1ESR2

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 142/4885ABCB11 905/4885CYP19A1 8/4885

“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.