SCHEMBL16010082

SCHEMBL16010082

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.42
CYP19A1 P11511 4/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
OR51E2 Q9H255 1/20 0.38
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
SRD5A2 P31213 1/20 0.33

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
SCHEMBL18213704 1.00 SHBG (0.42) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL16010623 1.00 SHBG (0.42) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL16010085 1.00 SHBG (0.42) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL16020127 0.89 SHBG (0.40) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL18213649 0.82 CYP19A1 (0.38) CYP19A1ESR2ESR1
SCHEMBL16020089 0.81 CYP19A1 (0.40) CYP19A1ESR2ESR1
SCHEMBL16020115 0.81 CYP19A1 (0.40) CYP19A1ESR2ESR1
SCHEMBL16010571 0.78 GPBAR1 (0.44) SHBG
SCHEMBL16020124 0.78 GPBAR1 (0.44) SHBG
SCHEMBL16020090 0.78 GPBAR1 (0.44) SHBG

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 SHBG 579/4885CYP19A1 796/4885AKR1B10 1534/4885
US-20160326127-A1 NEUROACTIVE SUBSTITUTED CYCLOPENTA[b]PHENANTHRENES AS MODULATORS FOR GABA TYPE-A RECEPTORS GABRB3, GABRB1, GABRB2 SHBG 579/4885CYP19A1 796/4885AKR1B10 1534/4885

“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.