SCHEMBL3015071

SCHEMBL3015071

CCCC=CCC1(C)COc2cc(C(=O)O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.44
RARA P10276 8/20 0.39
RARG P13631 8/20 0.39
RARB P10826 7/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
AKR1B1 P15121 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
RXRA P19793 4/20 0.35
HNF4A P41235 1/20 0.35
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34

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
SCHEMBL3015066 1.00 CNR2 (0.44) CNR2RARARARGRARBALDH1A1
SCHEMBL3018084 0.87 RARB (0.42) CNR2RARARARGRARBALDH1A1
SCHEMBL3018081 0.87 RARB (0.42) CNR2RARARARGRARBALDH1A1
SCHEMBL3020413 0.84 CNR2 (0.64) CNR2ALDH1A1
SCHEMBL3020411 0.84 CNR2 (0.64) CNR2ALDH1A1
SCHEMBL3003279 0.83 CNR2 (0.66) CNR2ALDH1A1
SCHEMBL3003276 0.83 CNR2 (0.66) CNR2ALDH1A1
SCHEMBL6736305 0.79 RXRA (0.47) RARARARGRARBRXRARXRB
SCHEMBL6736308 0.79 RXRA (0.47) RARARARGRARBRXRARXRB
SCHEMBL3020924 0.75 CNR2 (0.71) CNR2RARARARGRARBALDH1A1

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-9394267-B2 Heterocyclic modulators of cannabinoid receptors THE CLEVELAND CLINIC FOUNDATION (US) 2016-07-19 US disclosed
US-9339486-B2 Heterocyclic modulators of cannabinoid receptors THE CLEVELAND CLINIC FOUNDATION (US) 2016-05-17 US disclosed
US-20150148408-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-05-28 US disclosed
EP-2178371-B1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS UNIV TEXAS (US) 2014-01-01 EP disclosed
US-20130237536-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS THE CLEVELAND CLINIC FOUNDATION (US) 2013-09-12 US disclosed
US-8440832-B2 Heterocyclic modulators of cannabinoid receptors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-14 US disclosed
US-20100204220-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-08-12 US disclosed
EP-2178371-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS Board of Regents, The University of Texas System (US) 2010-04-28 EP disclosed
WO-2009012221-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-01-22 WO 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 (3 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-20100204220-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 CNR2 2/4885RARA 1062/4885RARG 630/4885
US-20130237536-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 CNR2 2/4885RARA 1062/4885RARG 630/4885
US-20150148408-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 CNR2 2/4885RARA 1062/4885RARG 630/4885

“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.