SCHEMBL3748864

SCHEMBL3748864

C=C1C(=C)C(C#N)(CC)[C@@]2(C)CC[C@@H]3[C@@H](C(C)CC4=CC(=O)CC[C@@]43C)[C@H]12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.53
CYP19A1 P11511 10/20 0.52
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 3/20 0.39
AR P10275 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
SCHEMBL3758866 0.84 CYP19A1 (0.52) SHBGCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3746805 0.84 CYP19A1 (0.52) SHBGCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3748482 0.76 SHBG (0.57) SHBGCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3751402 0.75 SHBG (0.54) SHBGCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3748862 0.75 SHBG (0.54) SHBGCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3750362 0.74 CYP19A1 (0.48) SHBGCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL8340653 0.70 SHBG (0.82) SHBGCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL8340651 0.70 SHBG (0.82) SHBGCYP19A1ALDH1A1MEN1KMT2A
Calusterone SCHEMBL4509 0.70 SHBG (1.00) SHBGCYP19A1ALDH1A1CYP3A4AR
Bolasterone SCHEMBL145066 0.70 SHBG (1.00) SHBGCYP19A1ALDH1A1CYP3A4AR

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 SHBG 24/4885CYP19A1 14/4885ALDH1A1 1039/4885

“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.