SCHEMBL3753955

SCHEMBL3753955

C=CC[C@]1(C#N)CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
SHBG P04278 3/20 0.37
CYP17A1 P05093 5/20 0.36
GRIN1 Q05586 5/20 0.35
GRIN2B Q13224 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.35
ESR1 P03372 3/20 0.34
AR P10275 3/20 0.34
ESR2 Q92731 3/20 0.34
GRIN2A Q12879 4/20 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
SCHEMBL3750366 0.83 POLB (0.62) POLBMAPTSHBGCYP17A1SMN1; SMN2
SCHEMBL9160890 0.81 POLB (0.60) POLBMAPTSHBGCYP17A1GRIN1
SCHEMBL12992189 0.78 POLB (0.67) POLBMAPTSHBGCYP17A1SMN1; SMN2
SCHEMBL15963152 0.78 POLB (0.67) POLBMAPTSHBGCYP17A1SMN1; SMN2
SCHEMBL2789952 0.78 POLB (0.67) POLBMAPTSHBGCYP17A1SMN1; SMN2
SCHEMBL15963511 0.78 POLB (0.67) POLBMAPTSHBGCYP17A1SMN1; SMN2
SCHEMBL23221135 0.77 POLB (0.66) POLBMAPTSHBGCYP17A1GRIN1
SCHEMBL23221194 0.77 POLB (0.66) POLBMAPTSHBGCYP17A1GRIN1
SCHEMBL9624018 0.76 POLB (0.52) POLBMAPTSHBGCYP17A1GRIN1
SCHEMBL9623918 0.76 POLB (0.52) POLBMAPTSHBGCYP17A1GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER SCHERING PHARMA AG (DE) 2010-11-18 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-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B11, HSD17B7, NR5A1 POLB 824/4885MAPT 4345/4885SHBG 24/4885

“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.