SCHEMBL3750366

SCHEMBL3750366

C[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)C#N)OCCO3

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.62
SHBG P04278 5/20 0.41
CYP17A1 P05093 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.36
NR3C1 P04150 1/20 0.36
MAPK1 P28482 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP19A1 P11511 2/20 0.36
CYP3A4 P08684 2/20 0.35
SERPINA6 P08185 2/20 0.34
ESR1 P03372 1/20 0.34
AR P10275 1/20 0.34
ESR2 Q92731 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GUSB P08236 1/20 0.34
G6PD P11413 1/20 0.34
PMP22 Q01453 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
SCHEMBL9160890 0.87 POLB (0.60) POLBMAPTSHBGCYP17A1SMN1; SMN2
SCHEMBL2789952 0.84 POLB (0.67) POLBMAPTSHBGCYP17A1SMN1; SMN2
SCHEMBL15963511 0.84 POLB (0.67) POLBMAPTSHBGCYP17A1SMN1; SMN2
SCHEMBL15963152 0.84 POLB (0.67) POLBMAPTSHBGCYP17A1SMN1; SMN2
SCHEMBL12992189 0.84 POLB (0.67) POLBMAPTSHBGCYP17A1SMN1; SMN2
SCHEMBL23221194 0.83 POLB (0.66) POLBMAPTSHBGCYP17A1SMN1; SMN2
SCHEMBL23221135 0.83 POLB (0.66) POLBMAPTSHBGCYP17A1SMN1; SMN2
SCHEMBL3753955 0.83 POLB (0.55) POLBMAPTSHBGCYP17A1SMN1; SMN2
SCHEMBL22920276 0.81 POLB (0.64) POLBMAPTCYP17A1SMN1; SMN2ALDH1A1
SCHEMBL23221143 0.81 POLB (0.64) POLBMAPTSHBGCYP17A1SMN1; SMN2

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.