SCHEMBL16009556

SCHEMBL16009556

COCO[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3C[C@]4(C)C(=O)CC[C@H]4C[C@H]32)C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.45
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
GPBAR1 Q8TDU6 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
SHBG P04278 2/20 0.38
SERPINA6 P08185 2/20 0.38
PMP22 Q01453 1/20 0.38
AKR1B10 O60218 1/20 0.38
G6PD P11413 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL11513027 0.80 MAPK1 (0.67) HSD17B3MAPK1ALDH1A1TP53MAPT
SCHEMBL11513031 0.80 MAPK1 (0.67) HSD17B3MAPK1ALDH1A1TP53MAPT
SCHEMBL18213715 0.80 HSD17B3 (0.35) HSD17B3MAPK1ALDH1A1TP53MAPT
SCHEMBL16009870 0.80 HSD17B3 (0.35) HSD17B3MAPK1ALDH1A1TP53MAPT
SCHEMBL16010046 0.80 HSD17B3 (0.35) HSD17B3MAPK1ALDH1A1TP53MAPT
SCHEMBL16020098 0.79 GPBAR1 (0.44) HSD17B3MAPK1GPBAR1MEN1KMT2A
SCHEMBL16010607 0.78 GPBAR1 (0.62) HSD17B3MAPK1GPBAR1MEN1KMT2A
SCHEMBL16021332 0.76 HSD17B3 (0.33) HSD17B3MAPK1
SCHEMBL16010586 0.76 HSD17B3 (0.33) HSD17B3MAPK1
SCHEMBL18213705 0.75 CYP19A1 (0.58) HSD17B3MAPK1GPBAR1MEN1KMT2A

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 6 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-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

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 HSD17B3 533/4885MAPK1 3917/4885ALDH1A1 563/4885
US-20160326127-A1 NEUROACTIVE SUBSTITUTED CYCLOPENTA[b]PHENANTHRENES AS MODULATORS FOR GABA TYPE-A RECEPTORS GABRB3, GABRB1, GABRB2 HSD17B3 533/4885MAPK1 3917/4885ALDH1A1 563/4885

“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.