SCHEMBL16020107

SCHEMBL16020107

C=C1CC[C@H]2C[C@@H]3[C@H](CC[C@@H]4CC(=O)CC[C@]43C)C[C@]12C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.48
AKR1B10 O60218 3/20 0.48
AKR1B1 P15121 3/20 0.48
OR51E2 Q9H255 1/20 0.48
SHBG P04278 5/20 0.44
GPBAR1 Q8TDU6 2/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
SERPINA6 P08185 1/20 0.44
NR3C2 P08235 1/20 0.44
CYP3A4 P08684 1/20 0.44
AR P10275 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MGAM O43451 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL16010063 0.88 CYP19A1 (0.59) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL16020103 0.78 GPBAR1 (0.47) AKR1B10AKR1B1SHBGGPBAR1SERPINA6
SCHEMBL16009420 0.78 SHBG (0.61) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL16021318 0.78 SHBG (0.61) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL12643907 0.75 AKR1B10 (0.78) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL19253300 0.74 SHBG (0.52) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL16020127 0.72 SHBG (0.40) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL19253227 0.72 AKR1B10 (0.54) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL18213705 0.71 CYP19A1 (0.58) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL19253253 0.71 CYP19A1 (0.50) CYP19A1AKR1B10AKR1B1OR51E2SHBG

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 CYP19A1 796/4885AKR1B10 1534/4885AKR1B1 1451/4885
US-20160326127-A1 NEUROACTIVE SUBSTITUTED CYCLOPENTA[b]PHENANTHRENES AS MODULATORS FOR GABA TYPE-A RECEPTORS GABRB3, GABRB1, GABRB2 CYP19A1 796/4885AKR1B10 1534/4885AKR1B1 1451/4885

“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.