SCHEMBL4111659

SCHEMBL4111659

CC[C@]12CC[C@H]3[C@@H](CC=C4C=C(OC)CC[C@@H]43)[C@@H]1CC[C@]2(C)C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.37
▸ AR P10275 9/20 0.37
▸ PGR P06401 9/20 0.37
▸ SLC6A4 P31645 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NR3C1 P04150 2/20 0.37
▸ ESR1 P03372 2/20 0.37
▸ SHBG P04278 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ NR3C2 P08235 3/20 0.35
▸ NR1I2 O75469 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL4208643 0.85 SRD5A2 (0.40) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL9222367 0.83 AR (0.39) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL9222376 0.83 AR (0.39) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL4107704 0.81 SRD5A2 (0.34) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL4107695 0.79 AR (0.32) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL13062454 0.78 AR (0.38) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL13013736 0.77 AR (0.61) ARPGRNR3C2
SCHEMBL4108660 0.76 SRD5A2 (0.36) SRD5A2
SCHEMBL17634423 0.75 PGR (0.41) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL4207108 0.75 PGR (0.36) SRD5A2ARPGR

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-20090048218-A1 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 — — 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-20090048218-A1 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B7, HSD17B11, CYP17A1 SRD5A2 14/4885AR 106/4885PGR 91/4885

“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.

Send feedback