SCHEMBL16010607

SCHEMBL16010607

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.62
LMNA P02545 3/20 0.62
CYP3A4 P08684 3/20 0.62
SHBG P04278 2/20 0.62
SERPINA6 P08185 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B3 P37058 1/20 0.62
PMP22 Q01453 1/20 0.62
AKR1B10 O60218 1/20 0.62
G6PD P11413 1/20 0.62
AKR1B1 P15121 1/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
CYP2C19 P33261 1/20 0.62
ABL1 P00519 1/20 0.53
RIN1 Q13671 1/20 0.53

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
SCHEMBL16020103 0.86 GPBAR1 (0.47) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL16020098 0.86 GPBAR1 (0.44) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL18213705 0.82 CYP19A1 (0.58) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL16010063 0.81 CYP19A1 (0.59) GPBAR1CYP3A4SHBGSERPINA6MEN1
SCHEMBL27694965 0.79 GPBAR1 (0.57) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL16009556 0.78 HSD17B3 (0.45) GPBAR1LMNACYP3A4SHBGSERPINA6
Androsterone SCHEMBL23031469 0.76 G6PD (1.00) GPBAR1LMNACYP3A4SHBGSERPINA6
Androsterone SCHEMBL12811704 0.76 G6PD (1.00) GPBAR1LMNACYP3A4SHBGSERPINA6
Androsterone SCHEMBL269982 0.76 G6PD (1.00) GPBAR1LMNACYP3A4SHBGSERPINA6
Epiandrosterone SCHEMBL295167 0.76 G6PD (1.00) GPBAR1LMNACYP3A4SHBGSERPINA6

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 9 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-20160326127-A1 NEUROACTIVE SUBSTITUTED CYCLOPENTA[b]PHENANTHRENES AS MODULATORS FOR GABA TYPE-A RECEPTORS WASHINGTON UNIVERSITY 2016-11-10 US disclosed
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-9365502-B2 Neuroactive substituted cyclopenta[b]phenanthrenes as modulators for GABA type-A receptors WASHINGTON UNIVERSITY (US) 2016-06-14 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
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
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 103/4885LMNA 4611/4885CYP3A4 570/4885
US-20160326127-A1 NEUROACTIVE SUBSTITUTED CYCLOPENTA[b]PHENANTHRENES AS MODULATORS FOR GABA TYPE-A RECEPTORS GABRB3, GABRB1, GABRB2 GPBAR1 103/4885LMNA 4611/4885CYP3A4 570/4885

“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.