SCHEMBL4107677

SCHEMBL4107677

CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CCC2=C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.57
▸ PGR P06401 5/20 0.54
▸ CYP3A4 P08684 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ SLC6A4 P31645 3/20 0.54
▸ AR P10275 3/20 0.54
▸ SHBG P04278 3/20 0.54
▸ ABCB11 O95342 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ NR3C1 P04150 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ ESR1 P03372 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ SERPINA6 P08185 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ SLC22A1 O15245 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ NR3C2 P08235 1/20 0.53
▸ TSHR P16473 1/20 0.49

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
SCHEMBL13372857 0.90 CYP19A1 (0.56) CYP19A1PGRCYP3A4LMNASLC6A4
SCHEMBL3182567 0.86 CYP19A1 (0.69) CYP19A1PGRCYP3A4LMNASLC6A4
SCHEMBL20851687 0.86 CYP19A1 (0.69) CYP19A1PGRCYP3A4LMNASLC6A4
SCHEMBL22845080 0.86 CYP19A1 (0.69) CYP19A1PGRCYP3A4LMNASLC6A4
SCHEMBL11629999 0.86 CYP19A1 (0.69) CYP19A1PGRCYP3A4LMNASLC6A4
SCHEMBL11629995 0.86 CYP19A1 (0.69) CYP19A1PGRCYP3A4LMNASLC6A4
SCHEMBL16661457 0.86 CYP19A1 (0.69) CYP19A1PGRCYP3A4LMNASLC6A4
SCHEMBL1422567 0.86 CYP19A1 (0.69) CYP19A1PGRCYP3A4LMNASLC6A4
SCHEMBL20915137 0.81 PGR (0.59) CYP19A1PGRCYP3A4LMNASLC6A4
SCHEMBL11736093 0.79 SERPINA6 (0.53) CYP19A1PGRCYP3A4LMNASLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178899-B1 17BETA-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP claimed
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 CYP19A1 9/4885PGR 91/4885CYP3A4 131/4885

“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.

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