SCHEMBL4220631

SCHEMBL4220631

C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.60
▸ SERPINA6 P08185 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ SHBG P04278 2/20 0.57
▸ SLC22A1 O15245 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ PGR P06401 5/20 0.52
▸ ABCB11 O95342 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ NR3C1 P04150 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ AR P10275 4/20 0.51
▸ NR3C2 P08235 2/20 0.51
▸ CHRM2 P08172 1/20 0.47

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
SCHEMBL4107834 0.83 CYP19A1 (0.55) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL4225779 0.83 AR (0.60) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL922877 0.80 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL2830563 0.80 CYP19A1 (0.78) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL11977689 0.80 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL13216466 0.80 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL19608861 0.80 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL26425075 0.80 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL6241693 0.78 CYP19A1 (0.56) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL13372682 0.76 ALDH1A1 (0.67) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170925-B1 17ß -CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP disclosed
US-8207150-B2 17β-cyano-19-nor-androst-4-ene derivative, its use and medicaments comprising the derivative Bayer Pharma AG (DE) 2012-06-26 — — US disclosed
US-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 — — US disclosed
EP-0137434-A2 Estrane and androstane derivatives, process for their preparation and pharmaceutical preparations containing them SCHERING AKTIENGESELLSCHAFT (DE) 1985-04-17 — — EP disclosed
US-4036695-A Process for the preparation of estrene-3,17-dione derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1977-07-19 — — 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-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B11, HSD17B7, NR5A1 CYP19A1 14/4885SERPINA6 860/4885ALDH1A1 678/4885

“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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