SCHEMBL13301080

SCHEMBL13301080

C[C@]12CC=CCC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.59
LMNA P02545 3/20 0.58
GPBAR1 Q8TDU6 3/20 0.58
CYP3A4 P08684 3/20 0.58
SHBG P04278 2/20 0.58
SERPINA6 P08185 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.55
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
NR3C2 P08235 1/20 0.52
AR P10275 1/20 0.52
MGAM O43451 1/20 0.52
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50

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
SCHEMBL2121692 1.00 CYP19A1 (0.59) CYP19A1LMNAGPBAR1CYP3A4SHBG
SCHEMBL11288957 1.00 CYP19A1 (0.59) CYP19A1LMNAGPBAR1CYP3A4SHBG
SCHEMBL1114519 1.00 CYP19A1 (0.59) CYP19A1LMNAGPBAR1CYP3A4SHBG
SCHEMBL1114521 1.00 CYP19A1 (0.59) CYP19A1LMNAGPBAR1CYP3A4SHBG
SCHEMBL11518113 1.00 CYP19A1 (0.59) CYP19A1LMNAGPBAR1CYP3A4SHBG
SCHEMBL7596278 0.84 CYP19A1 (0.60) CYP19A1LMNAGPBAR1CYP3A4SHBG
SCHEMBL10402440 0.82 CYP19A1 (0.59) CYP19A1LMNAGPBAR1CYP3A4SHBG
SCHEMBL10404411 0.82 CYP19A1 (0.59) CYP19A1LMNAGPBAR1CYP3A4SHBG
SCHEMBL10766605 0.81 CYP19A1 (0.58) CYP19A1LMNAGPBAR1CYP3A4SHBG
SCHEMBL25079447 0.81 GABRA1 (0.61) CYP19A1LMNAGPBAR1CYP3A4CYP1A2

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
US-8653054-B2 2-(N-substituted piperazinyl) steroid derivatives UNIVERSITE LAVAL (CA) 2014-02-18 US disclosed
US-8653054-B2 2-(N-substituted piperazinyl) steroid derivatives UNIVERSITE LAVAL (CA) 2014-02-18 US disclosed
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives UNIVERSITE LAVAL (CA) 2011-12-22 US disclosed
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives UNIVERSITE LAVAL (CA) 2011-12-22 US disclosed
WO-2010060215-A1 2-(N-SUBSTITUTED PIPERAZINYL) STEROID DERIVATIVES UNIVERSITé LAVAL (CA) 2010-06-03 WO 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-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives NR5A1, HSD17B11, CYP17A1 CYP19A1 6/4885LMNA 2805/4885GPBAR1 400/4885

“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.