Sugi Predict

Sugi Predict / Compounds / SCHEMBL3753985

SCHEMBL3753985

SCHEMBL3753985

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 5/20 0.71
▸ CYP19A1 P11511 5/20 0.64
▸ CYP3A4 P08684 10/20 0.51
▸ CYP17A1 P05093 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 5/20 0.45
▸ TSHR P16473 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ NR3C1 P04150 3/20 0.45
▸ PGR P06401 3/20 0.45
▸ SERPINA6 P08185 3/20 0.45
▸ AR P10275 3/20 0.45
▸ GPBAR1 Q8TDU6 3/20 0.45
▸ SIGMAR1 Q99720 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL3753990 1.00 SHBG (0.71) SHBGCYP19A1CYP3A4CYP17A1ALDH1A1
SCHEMBL3753845 0.86 CYP3A4 (0.58) SHBGCYP19A1CYP3A4CYP17A1AR
SCHEMBL3753842 0.86 CYP3A4 (0.58) SHBGCYP19A1CYP3A4CYP17A1AR
SCHEMBL25863846 0.85 SHBG (0.78) SHBGCYP19A1CYP3A4ALDH1A1LMNA
SCHEMBL7738486 0.85 SHBG (0.78) SHBGCYP19A1CYP3A4ALDH1A1LMNA
SCHEMBL24103268 0.83 SHBG (1.00) SHBGCYP19A1CYP3A4LMNATSHR
SCHEMBL7139746 0.83 SHBG (1.00) SHBGCYP19A1CYP3A4LMNATSHR
SCHEMBL6695330 0.83 SHBG (1.00) SHBGCYP19A1CYP3A4LMNATSHR
SCHEMBL24102468 0.83 SHBG (1.00) SHBGCYP19A1CYP3A4LMNATSHR
SCHEMBL10273612 0.83 SHBG (1.00) SHBGCYP19A1CYP3A4LMNATSHR

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 4 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
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 14/4885CYP3A4 166/4885

“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.