SCHEMBL3752450

SCHEMBL3752450

CC1C[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 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.59
SHBG P04278 2/20 0.59
SERPINA6 P08185 1/20 0.56
LMNA P02545 4/20 0.51
NR3C1 P04150 4/20 0.51
HIF1A Q16665 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP3A4 P08684 6/20 0.48
PGR P06401 3/20 0.48
AR P10275 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
ESR1 P03372 1/20 0.48
CHRM2 P08172 1/20 0.48

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
SCHEMBL3759365 1.00 CYP19A1 (0.59) CYP19A1SHBGSERPINA6LMNANR3C1
SCHEMBL3746385 1.00 CYP19A1 (0.59) CYP19A1SHBGSERPINA6LMNANR3C1
SCHEMBL3751400 1.00 CYP19A1 (0.59) CYP19A1SHBGSERPINA6LMNANR3C1
SCHEMBL3744050 0.87 CYP19A1 (0.61) CYP19A1
SCHEMBL3749186 0.87 CYP19A1 (0.61) CYP19A1
SCHEMBL3742147 0.86 CYP19A1 (0.52) CYP19A1CYP3A4
SCHEMBL3744658 0.86 CYP19A1 (0.52) CYP19A1CYP3A4
SCHEMBL13078821 0.84 CYP19A1 (0.51) CYP19A1SHBGSERPINA6CYP3A4PGR
SCHEMBL3749413 0.83 SHBG (0.57) CYP19A1SHBGSERPINA6LMNANR3C1
SCHEMBL3744150 0.83 SHBG (0.57) CYP19A1SHBGSERPINA6LMNANR3C1

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 14/4885SHBG 24/4885SERPINA6 608/4885

“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.