SCHEMBL13952155

SCHEMBL13952155

C[C@]12CCC3c4ccc(C#N)c(F)c4CCC3C1CC[C@@]21CO1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.46
CYP19A1 P11511 2/20 0.46
AKR1C3 P42330 12/20 0.44
HSD17B2 P37059 2/20 0.42
ABCB11 O95342 1/20 0.42
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
MPI P34949 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL13952022 0.87 HSD17B2 (0.45) STSAKR1C3HSD17B2ABCB11MEN1
SCHEMBL13952156 0.81 STS (0.56) STSCYP19A1ABCB11MEN1LMNA
SCHEMBL13952148 0.81 STS (0.56) STSCYP19A1ABCB11MEN1ESR1
SCHEMBL13951923 0.79 STS (0.72) STSCYP19A1LMNAESR1MAPT
SCHEMBL17525967 0.78 SHBG (0.53) STSCYP19A1ABCB11KDM4EMEN1
SCHEMBL13951924 0.77 STS (0.69) STS
SCHEMBL14048707 0.77 SHBG (0.49) STSCYP19A1ABCB11KDM4EMEN1
SCHEMBL30291860 0.76 STS (0.65) STS
SCHEMBL13952013 0.76 STS (0.65) STS
SCHEMBL7643054 0.75 AKR1C3 (0.71) STSAKR1C3HSD17B2ABCB11ESR1

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 142/4885CYP19A1 8/4885AKR1C3 69/4885

“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.