SCHEMBL18306390

SCHEMBL18306390

CN(C)c1ccc([C@H]2C[C@@]3(C)C(CC[C@@H]3O)C3CCC4=CC(=O)CC[C@@H]4C32)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 11/20 0.60
▸ NR3C1 P04150 10/20 0.60
▸ AR P10275 9/20 0.60
▸ SERPINA6 P08185 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ SLC22A1 O15245 1/20 0.55
▸ SHBG P04278 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ CYP3A4 P08684 1/20 0.51
▸ MCL1 Q07820 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ CYP2C8 P10632 1/20 0.39

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
SCHEMBL19032618 1.00 PGR (0.60) PGRNR3C1ARSERPINA6ALDH1A1
SCHEMBL1591672 1.00 PGR (0.60) PGRNR3C1ARSERPINA6ALDH1A1
SCHEMBL19042720 1.00 PGR (0.60) PGRNR3C1ARSERPINA6ALDH1A1
SCHEMBL20048255 0.91 PGR (0.62) PGRNR3C1ARSERPINA6ALDH1A1
SCHEMBL23131152 0.91 PGR (0.62) PGRNR3C1ARSERPINA6ALDH1A1
SCHEMBL23131151 0.91 PGR (0.55) PGRNR3C1ARSERPINA6ALDH1A1
SCHEMBL21470226 0.91 PGR (0.62) PGRNR3C1ARSERPINA6ALDH1A1
SCHEMBL23131127 0.91 PGR (0.53) PGRNR3C1ARSERPINA6ALDH1A1
SCHEMBL23645233 0.90 PGR (0.62) PGRNR3C1ARSERPINA6ALDH1A1
SCHEMBL20048414 0.90 PGR (0.62) PGRNR3C1ARSERPINA6ALDH1A1

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
US-20170051008-A1 ANDROSTANE AND PREGNANE STEROIDS WITH POTENT ALLOSTERIC GABA RECEPTOR CHLORIDE IONOPHORE MODULATING PROPERTIES RESEARCH TRIANGLE INSTITUTE (US) 2017-02-23 — — US disclosed
US-9518080-B2 Androstane and pregnane steroids with potent allosteric GABA receptor chloride ionophore modulating properties RESEARCH TRIANGLE INSTITUTE (US) 2016-12-13 — — 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-20170051008-A1 ANDROSTANE AND PREGNANE STEROIDS WITH POTENT ALLOSTERIC GABA RECEPTOR CHLORIDE IONOPHORE MODULATING PROPERTIES GABRA2, GABRA1, GABRA4 PGR 50/4885NR3C1 17/4885AR 146/4885

“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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