SCHEMBL3748812

SCHEMBL3748812

C=C1C(=C)[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1C#N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.57
PGR P06401 2/20 0.49
AR P10275 2/20 0.49
CHRM1 P11229 1/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 2/20 0.46
ABCB11 O95342 1/20 0.46
NR3C1 P04150 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3742143 0.82 PGR (0.56) CYP19A1PGRARCHRM1LMNA
SCHEMBL3744154 0.77 CYP17A1 (0.56) CYP19A1PGRARCHRM1LMNA
SCHEMBL3747281 0.77 CYP17A1 (0.56) CYP19A1PGRARCHRM1LMNA
SCHEMBL3754207 0.77 CYP19A1 (0.47) CYP19A1PGRARCHRM1LMNA
SCHEMBL3748807 0.76 CYP19A1 (0.56) CYP19A1PGRARCHRM1LMNA
SCHEMBL3748482 0.75 SHBG (0.57) CYP19A1PGRARCHRM1LMNA
SCHEMBL3746389 0.75 CYP19A1 (0.57) CYP19A1PGRARCHRM1LMNA
SCHEMBL10444544 0.74 CYP19A1 (0.69) CYP19A1PGRARCHRM1LMNA
SCHEMBL6699256 0.73 CYP19A1 (1.00) CYP19A1PGRARCHRM1
SCHEMBL18402585 0.73 CYP3A4 (0.66) CYP19A1PGRARCHRM1LMNA

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 claimed

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 CYP19A1 14/4885PGR 61/4885AR 73/4885

“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.