SCHEMBL4208643

SCHEMBL4208643

COC1=CC2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(C)C#N)[C@H]2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.40
▸ PGR P06401 5/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ ABCB11 O95342 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ NR3C1 P04150 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ SHBG P04278 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ AR P10275 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ TBXA2R P21731 1/20 0.34

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
SCHEMBL4111659 0.85 SRD5A2 (0.37) SRD5A2PGRCYP3A4ABCB11LMNA
SCHEMBL4220716 0.80 PGR (0.38) SRD5A2PGRAR
SCHEMBL4208411 0.78 SRD5A2 (0.45) SRD5A2LMNAHIF1AALDH1A1ESR1
SCHEMBL10089008 0.78 SRD5A2 (0.45) SRD5A2LMNAHIF1AALDH1A1ESR1
SCHEMBL13062185 0.78 SRD5A2 (0.40) SRD5A2PGRABCB11CYP2C19NR3C1
SCHEMBL13474760 0.78 SRD5A2 (0.40) SRD5A2PGRABCB11CYP2C19NR3C1
SCHEMBL13013688 0.77 AR (0.59) SRD5A2PGRARNR3C2
SCHEMBL4207108 0.77 PGR (0.36) SRD5A2PGRAR
SCHEMBL10953556 0.76 PGR (0.53) SRD5A2PGRCYP3A4ABCB11LMNA
SCHEMBL9226234 0.74 SRD5A2 (0.68) SRD5A2CYP3A4LMNAALDH1A1TSHR

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-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

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 SRD5A2 12/4885PGR 87/4885CYP3A4 142/4885

“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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