SCHEMBL16010571

SCHEMBL16010571

C[C@@]12C[C@@H]3CC[C@@H]4CC(O)CC[C@@H]4[C@H]3C[C@H]1CCC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.44
SHBG P04278 2/20 0.44
SERPINA6 P08185 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B3 P37058 1/20 0.44

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
SCHEMBL16010120 1.00 GPBAR1 (0.44) GPBAR1SHBGSERPINA6LMNACYP3A4
SCHEMBL16010142 1.00 GPBAR1 (0.44) GPBAR1SHBGSERPINA6LMNACYP3A4
SCHEMBL18213645 1.00 GPBAR1 (0.44) GPBAR1SHBGSERPINA6LMNACYP3A4
SCHEMBL16010616 1.00 GPBAR1 (0.44) GPBAR1SHBGSERPINA6LMNACYP3A4
SCHEMBL16020124 1.00 GPBAR1 (0.44) GPBAR1SHBGSERPINA6LMNACYP3A4
SCHEMBL16020090 1.00 GPBAR1 (0.44) GPBAR1SHBGSERPINA6LMNACYP3A4
SCHEMBL16020088 0.86 GPBAR1 (0.33) GPBAR1SHBGSERPINA6LMNACYP3A4
SCHEMBL16020085 0.86 GPBAR1 (0.33) GPBAR1SHBGSERPINA6LMNACYP3A4
SCHEMBL16020117 0.86 GPBAR1 (0.33) GPBAR1SHBGSERPINA6LMNACYP3A4
SCHEMBL16020115 0.85 CYP19A1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326127-A1 NEUROACTIVE SUBSTITUTED CYCLOPENTA[b]PHENANTHRENES AS MODULATORS FOR GABA TYPE-A RECEPTORS WASHINGTON UNIVERSITY 2016-11-10 US disclosed
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 (2 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 GPBAR1 103/4885SHBG 579/4885SERPINA6 1431/4885
US-20160326127-A1 NEUROACTIVE SUBSTITUTED CYCLOPENTA[b]PHENANTHRENES AS MODULATORS FOR GABA TYPE-A RECEPTORS GABRB3, GABRB1, GABRB2 GPBAR1 103/4885SHBG 579/4885SERPINA6 1431/4885

“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.