SCHEMBL16020131

SCHEMBL16020131

C[C@H]1CC[C@H]2C[C@@H]3[C@H](CC[C@@H]4C[C@@H](O)CC[C@]43C)C[C@@]21C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
GPBAR1 Q8TDU6 2/20 0.49
SHBG P04278 1/20 0.49
SERPINA6 P08185 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NR1I3 Q14994 1/20 0.46

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
SCHEMBL16010005 0.80 GPBAR1 (0.45) LMNAGPBAR1SHBGSERPINA6
SCHEMBL14509336 0.79 LMNA (0.61) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL19253304 0.77 LMNA (0.75) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL14046194 0.77 LMNA (0.75) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL19733265 0.77 LMNA (0.75) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL19750433 0.77 LMNA (0.75) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL19253297 0.77 LMNA (0.75) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL17693865 0.77 LMNA (0.75) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL18575975 0.77 LMNA (0.75) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL15426612 0.77 LMNA (0.75) LMNAGPBAR1SHBGSERPINA6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365502-B2 Neuroactive substituted cyclopenta[b]phenanthrenes as modulators for GABA type-A receptors WASHINGTON UNIVERSITY (US) 2016-06-14 US disclosed
US-20140256805-A1 NEUROACTIVE SUBSTITUTED CYCLOPENTA[b]PHENANTHRENES AS MODULATORS FOR GABA TYPE-A RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-09-11 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-20140256805-A1 NEUROACTIVE SUBSTITUTED CYCLOPENTA[b]PHENANTHRENES AS MODULATORS FOR GABA TYPE-A RECEPTORS GABRB3, GABRB1, GABRB2 LMNA 4611/4885GPBAR1 103/4885SHBG 579/4885

“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.