SCHEMBL3748482

SCHEMBL3748482

C=C1C(=C)[C@H]2[C@@H]3C(C)CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.57
CYP19A1 P11511 6/20 0.56
CYP3A4 P08684 8/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP17A1 P05093 2/20 0.42
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
HIF1A Q16665 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
NR1I2 O75469 1/20 0.40
SLC22A3 O75751 1/20 0.40
ABCB11 O95342 1/20 0.40

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
SCHEMBL3747281 0.82 CYP17A1 (0.56) SHBGCYP19A1CYP3A4ALDH1A1CYP17A1
SCHEMBL3744154 0.82 CYP17A1 (0.56) SHBGCYP19A1CYP3A4ALDH1A1CYP17A1
SCHEMBL3753990 0.79 SHBG (0.71) SHBGCYP19A1CYP3A4ALDH1A1CYP17A1
SCHEMBL3753985 0.79 SHBG (0.71) SHBGCYP19A1CYP3A4ALDH1A1CYP17A1
SCHEMBL3746389 0.78 CYP19A1 (0.57) SHBGCYP19A1CYP3A4ALDH1A1CYP17A1
SCHEMBL3748864 0.76 SHBG (0.53) SHBGCYP19A1CYP3A4ALDH1A1MEN1
SCHEMBL3749070 0.76 SHBG (0.57) SHBGCYP19A1CYP3A4ALDH1A1CYP17A1
SCHEMBL3748477 0.76 SHBG (0.57) SHBGCYP19A1CYP3A4ALDH1A1CYP17A1
SCHEMBL3748812 0.75 CYP19A1 (0.57) CYP19A1CYP3A4ALDH1A1LMNACYP2C9
SCHEMBL7738486 0.74 SHBG (0.78) SHBGCYP19A1CYP3A4ALDH1A1LMNA

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
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 claimed
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 14/4885CYP3A4 166/4885

“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.