SCHEMBL3748807

SCHEMBL3748807

CC1=C[C@H]2[C@@H]3[C@@H]4C[C@@H]4[C@H](C#N)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.56
PGR P06401 2/20 0.48
AR P10275 2/20 0.48
CHRM1 P11229 1/20 0.48
CYP2C9 P11712 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 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
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
SHBG P04278 1/20 0.40
CYP17A1 P05093 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
SCHEMBL3742140 0.81 CYP19A1 (0.56) CYP19A1PGRARCHRM1LMNA
SCHEMBL3749083 0.81 CYP19A1 (0.56) CYP19A1PGRARCHRM1LMNA
SCHEMBL3675802 0.81 CYP19A1 (0.56) CYP19A1PGRARCHRM1LMNA
SCHEMBL3744618 0.79 CYP17A1 (0.46) CYP19A1PGRARLMNAABCB11
SCHEMBL3748800 0.79 CYP17A1 (0.46) CYP19A1PGRARLMNAABCB11
SCHEMBL13335955 0.78 SHBG (0.57) CYP19A1PGRARCHRM1CYP2C9
SCHEMBL3749413 0.78 SHBG (0.57) CYP19A1PGRARCHRM1CYP2C9
SCHEMBL3744150 0.78 SHBG (0.57) CYP19A1PGRARCHRM1CYP2C9
SCHEMBL3752458 0.78 SHBG (0.57) CYP19A1PGRARCHRM1CYP2C9
SCHEMBL3754205 0.77 CYP19A1 (0.47) CYP19A1PGRARLMNANR3C1

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 3 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
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 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.