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Sugi Predict / Compounds / SCHEMBL3748477

SCHEMBL3748477

SCHEMBL3748477

C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@H]4C[C@H]4[C@@H]3C#N)[C@H]12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 5/20 0.57
▸ CYP19A1 P11511 5/20 0.56
▸ CYP17A1 P05093 2/20 0.44
▸ CYP3A4 P08684 7/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ NR3C1 P04150 2/20 0.42
▸ PGR P06401 2/20 0.42
▸ SERPINA6 P08185 2/20 0.42
▸ AR P10275 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ SNCA P37840 2/20 0.42
▸ CACNA1C Q13936 2/20 0.42
▸ CYP51A1 Q16850 2/20 0.42
▸ GPBAR1 Q8TDU6 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ OR51E2 Q9H255 1/20 0.42

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
SCHEMBL3749070 1.00 SHBG (0.57) SHBGCYP19A1CYP17A1CYP3A4ALDH1A1
SCHEMBL3749413 0.83 SHBG (0.57) SHBGCYP19A1CYP17A1CYP3A4ALDH1A1
SCHEMBL13335955 0.83 SHBG (0.57) SHBGCYP19A1CYP17A1CYP3A4ALDH1A1
SCHEMBL3744150 0.83 SHBG (0.57) SHBGCYP19A1CYP17A1CYP3A4ALDH1A1
SCHEMBL3752458 0.83 SHBG (0.57) SHBGCYP19A1CYP17A1CYP3A4ALDH1A1
SCHEMBL13078821 0.82 CYP19A1 (0.51) SHBGCYP19A1CYP3A4PGRSERPINA6
SCHEMBL13046013 0.80 AR (0.55) SHBGCYP19A1CYP3A4LMNANR3C1
SCHEMBL13046021 0.80 AR (0.55) SHBGCYP19A1CYP3A4LMNANR3C1
SCHEMBL3746385 0.79 CYP19A1 (0.59) SHBGCYP19A1CYP17A1CYP3A4ALDH1A1
SCHEMBL3752450 0.79 CYP19A1 (0.59) SHBGCYP19A1CYP17A1CYP3A4ALDH1A1

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 5 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
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
WO-2010066349-A1 USE OF 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVES FOR MANUFACTURING A MEDICAMENT IN A SUSTAINED-RELEASE FORM FOR PARENTERAL USE, AND SUSTAINED-RELEASE MEDICAMENT CONTAINING 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVES FOR PARENTERAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 — — WO 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 14/4885CYP17A1 4/4885

“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.