SCHEMBL12436290

SCHEMBL12436290

CC(=O)N1CCC[C@@]2(C)C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.55
GPBAR1 Q8TDU6 4/20 0.49
LMNA P02545 3/20 0.49
CYP3A4 P08684 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
G6PD P11413 3/20 0.49
MAPK1 P28482 2/20 0.49
SHBG P04278 2/20 0.49
SERPINA6 P08185 2/20 0.49
AKR1B10 O60218 2/20 0.49
AKR1B1 P15121 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HSD17B3 P37058 1/20 0.49
PMP22 Q01453 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL12436190 1.00 CYP19A1 (0.55) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL12436211 0.93 CYP19A1 (0.52) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL16330012 0.86 CYP19A1 (0.51) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL12516691 0.86 CYP19A1 (0.51) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL12436289 0.85 CYP19A1 (0.50) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL12436191 0.85 CYP19A1 (0.50) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL4263982 0.83 CYP19A1 (0.60) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL4263979 0.83 CYP19A1 (0.60) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL12512966 0.79 CYP19A1 (0.48) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL12436318 0.78 HSD17B3 (0.48) CYP19A1GPBAR1LMNACYP3A4MEN1

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-20110178065-A1 NOVEL CYP17 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2011-07-21 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-20110178065-A1 NOVEL CYP17 INHIBITORS CYP17A1, CYP21A2, HSD17B1 CYP19A1 5/4885GPBAR1 294/4885LMNA 3745/4885

“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.