SCHEMBL3754511

SCHEMBL3754511

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nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.47
CYP3A4 P08684 6/20 0.38
LMNA P02545 5/20 0.38
TSHR P16473 4/20 0.38
SHBG P04278 4/20 0.38
SERPINA6 P08185 4/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
NR3C1 P04150 3/20 0.38
PGR P06401 3/20 0.38
AR P10275 3/20 0.38
GPBAR1 Q8TDU6 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
CYP17A1 P05093 3/20 0.38
CYP2C9 P11712 2/20 0.38
HIF1A Q16665 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL3754207 0.85 CYP19A1 (0.47) CYP19A1CYP3A4LMNATSHRSHBG
SCHEMBL3756548 0.84 CYP19A1 (0.53) CYP19A1CYP3A4LMNATSHRSHBG
SCHEMBL3756555 0.84 CYP19A1 (0.53) CYP19A1CYP3A4LMNATSHRSHBG
SCHEMBL3756551 0.84 CYP19A1 (0.53) CYP19A1CYP3A4LMNATSHRSHBG
SCHEMBL3753677 0.78 CYP19A1 (0.46) CYP19A1LMNATSHRSHBGSERPINA6
SCHEMBL3754203 0.78 CYP19A1 (0.47) CYP19A1CYP3A4LMNATSHRSHBG
SCHEMBL3754205 0.78 CYP19A1 (0.47) CYP19A1CYP3A4LMNATSHRSHBG
SCHEMBL3754513 0.78 CYP19A1 (0.47) CYP19A1CYP3A4LMNATSHRSHBG
SCHEMBL3755171 0.75 CYP19A1 (0.54) CYP19A1CYP3A4LMNATSHRSHBG
SCHEMBL3755170 0.75 CYP19A1 (0.54) CYP19A1CYP3A4LMNATSHRSHBG

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 14/4885CYP3A4 166/4885LMNA 3030/4885

“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.