SCHEMBL12723613

SCHEMBL12723613

CNc1ccc([C@H]2C[C@@]3(C)C(CC[C@@H]3O)C3CCC4=CC(=O)CC[C@@H]4C32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ PGR P06401 9/20 0.46
▸ AR P10275 8/20 0.46
▸ NR3C1 P04150 8/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HIF1A Q16665 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
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL23131144 1.00 SERPINA6 (0.55) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL20048354 0.90 SERPINA6 (0.53) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL19042741 0.89 SERPINA6 (0.58) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL8536771 0.89 SERPINA6 (0.58) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL20048229 0.88 SERPINA6 (0.57) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL19032618 0.86 PGR (0.60) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL1591672 0.86 PGR (0.60) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL18306390 0.86 PGR (0.60) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL19042720 0.86 PGR (0.60) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL8540966 0.86 SERPINA6 (0.55) SERPINA6ALDH1A1SLC22A1SHBGTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155204-B1 ANDROSTANE AND PREGNANE STEROIDS WITH POTENT ALLOSTERIC GABA RECEPTOR CHLORIDE IONOPHORE MODULATING PROPERTIES RES TRIANGLE INST (US) 2016-08-17 — — EP disclosed
US-8575375-B2 Androstane and pregnane steroids with potent allosteric GABA receptor chloride ionophore modulating properties RESEARCH TRIANGLE INSTITUTE (US) 2013-11-05 — — US disclosed
US-20110092473-A1 ANDROSTANE AND PREGNANE STEROIDS WITH POTENT ALLOSTERIC GABA RECEPTOR CHLORIDE IONOPHORE MODULATING PROPERTIES RESEARCH TRIANGLE INSTITUTE (US) 2011-04-21 — — 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-20110092473-A1 ANDROSTANE AND PREGNANE STEROIDS WITH POTENT ALLOSTERIC GABA RECEPTOR CHLORIDE IONOPHORE MODULATING PROPERTIES GABRA2, GABRA1, GABRA4 SERPINA6 1360/4885ALDH1A1 1437/4885SLC22A1 994/4885

“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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