SCHEMBL13951900

SCHEMBL13951900

CC[C@H]1C[C@]2(C)C(=O)CCC2C2CCc3c(ccc(C#N)c3F)C21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 8/20 0.46
CYP19A1 P11511 6/20 0.46
HSD17B1 P14061 3/20 0.40
AKR1C3 P42330 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
AKR1B10 O60218 1/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
SHBG P04278 1/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
SERPINA6 P08185 1/20 0.35
CYP3A4 P08684 1/20 0.35
AR P10275 1/20 0.35
MAPT P10636 1/20 0.35
AKR1B1 P15121 1/20 0.35
NFKB1 P19838 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL13951896 0.89 STS (0.45) STSCYP19A1HSD17B1AKR1C3HSD17B10
SCHEMBL13951898 0.87 STS (0.48) STSCYP19A1HSD17B1AKR1C3HSD17B10
SCHEMBL13951899 0.86 STS (0.43) STSCYP19A1HSD17B1AKR1C3HSD17B10
SCHEMBL14048591 0.85 STS (0.50) STSCYP19A1HSD17B1AKR1C3HSD17B10
SCHEMBL13951923 0.79 STS (0.72) STSCYP19A1HSD17B1HSD17B10AKR1B10
SCHEMBL14048586 0.75 STS (0.66) STSCYP19A1HSD17B1AKR1C3HSD17B10
SCHEMBL13951902 0.75 STS (0.47) STSCYP19A1HSD17B1AKR1C3HSD17B10
SCHEMBL13951901 0.73 AKR1C3 (0.40) STSCYP19A1AKR1C3HSD17B10TSHR
SCHEMBL5502437 0.73 HSD17B10 (0.67) STSCYP19A1HSD17B1AKR1C3HSD17B10
SCHEMBL14048588 0.73 HSD17B10 (0.67) STSCYP19A1HSD17B1AKR1C3HSD17B10

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
EP-2147014-B1 17ALPHA-SUBSTITUTED STEROIDS AS SYSTEMIC ANTIANDROGENS AND SELECTIVE ANDROGEN RECEPTOR MODULATORS ENDORECH INC (CA) 2016-02-17 EP disclosed
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 8/4885HSD17B1 10/4885

“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.