SCHEMBL13930484

SCHEMBL13930484

C[C@]12CCC3c4ccc(O)c(Cl)c4CCC3C1CCC2=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 9/20 0.75
CYP19A1 P11511 9/20 0.75
HSD17B1 P14061 5/20 0.65
AKR1B10 O60218 1/20 0.65
LMNA P02545 1/20 0.65
ESR1 P03372 1/20 0.65
SHBG P04278 1/20 0.65
CYP1A2 P05177 1/20 0.65
PGR P06401 1/20 0.65
SERPINA6 P08185 1/20 0.65
CYP3A4 P08684 1/20 0.65
AR P10275 1/20 0.65
MAPT P10636 1/20 0.65
AKR1B1 P15121 1/20 0.65
NFKB1 P19838 1/20 0.65
SLC6A4 P31645 1/20 0.65
OPRM1 P35372 1/20 0.65
SNCA P37840 1/20 0.65
HTR2B P41595 1/20 0.65
BLM P54132 1/20 0.65

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
SCHEMBL1705295 1.00 STS (0.75) STSCYP19A1HSD17B1AKR1B10LMNA
SCHEMBL13123039 0.89 STS (0.80) STSCYP19A1HSD17B1AKR1B10LMNA
SCHEMBL223170 0.89 STS (0.80) STSCYP19A1HSD17B1AKR1B10LMNA
SCHEMBL13952169 0.87 STS (0.63) STSCYP19A1HSD17B1AKR1B10LMNA
SCHEMBL978711 0.87 STS (0.77) STSCYP19A1HSD17B1AKR1B10LMNA
SCHEMBL13930486 0.86 STS (1.00) STSCYP19A1HSD17B1AKR1B10LMNA
SCHEMBL2929474 0.86 STS (1.00) STSCYP19A1HSD17B1AKR1B10LMNA
SCHEMBL10783004 0.86 STS (0.75) STSCYP19A1HSD17B1AKR1B10LMNA
SCHEMBL14048663 0.86 STS (0.75) STSCYP19A1HSD17B1AKR1B10LMNA
SCHEMBL10889130 0.86 CYP19A1 (1.00) STSCYP19A1HSD17B1AKR1B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284345-B2 17alpha-substituted steroids as systemic antiandrogens and selective androgen receptor modulators ENDORECHERCHE, INC. (CA) 2016-03-15 US disclosed
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
US-20090042844-A1 17ALPHA-SUBSTITUTED STEROIDS AS SYSTEMIC ANTIANDROGENS AND SELECTIVE ANDROGEN RECEPTOR MODULATORS ENDORECHERCHE, INC. 2009-02-12 US disclosed
WO-2008124922-A1 17ALPHA-SUBSTITUTED STEROIDS AS SYSTEMIC ANTIANDROGENS AND SELECTIVE ANDROGEN RECEPTOR MODULATORS ENDORECHERCHE, INC. (CA) 2008-10-23 WO 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.