SCHEMBL3748459

SCHEMBL3748459

C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C#N

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.59
SHBG P04278 1/20 0.52
CYP19A1 P11511 8/20 0.46
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SRD5A1 P18405 1/20 0.44

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
SCHEMBL3748461 1.00 SRD5A2 (0.59) SRD5A2SHBGCYP19A1CYP3A4TSHR
Clostebol SCHEMBL146712 0.82 SHBG (0.76) SRD5A2SHBGCYP19A1CYP3A4TSHR
Clostebol SCHEMBL4437252 0.82 SHBG (0.76) SRD5A2SHBGCYP19A1CYP3A4TSHR
Clostebol SCHEMBL216172 0.81 SHBG (0.69) SRD5A2SHBGCYP19A1CYP3A4TSHR
SCHEMBL3749010 0.80 SRD5A2 (0.49) SRD5A2SHBGCYP19A1CYP3A4TSHR
SCHEMBL216171 0.79 SRD5A2 (0.61) SRD5A2SHBGCYP19A1CYP3A4TSHR
SCHEMBL2251175 0.79 SRD5A2 (0.61) SRD5A2SHBGCYP19A1CYP3A4TSHR
SCHEMBL3749013 0.78 SRD5A2 (0.48) SRD5A2SHBGCYP19A1CYP3A4TSHR
SCHEMBL6573064 0.77 CYP3A4 (0.72) CYP19A1CYP3A4TSHRTHPOHIF1A
SCHEMBL6573070 0.77 CYP3A4 (0.72) CYP19A1CYP3A4TSHRTHPOHIF1A

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-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER SCHERING PHARMA AG (DE) 2010-11-18 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-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B11, HSD17B7, NR5A1 SRD5A2 15/4885SHBG 24/4885CYP19A1 14/4885

“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.