SCHEMBL3019867

SCHEMBL3019867

CC1(Cc2ccccc2)COc2ccc(C(=O)O)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.71
RARB P10826 6/20 0.47
RARG P13631 6/20 0.47
RARA P10276 5/20 0.47
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
RXRA P19793 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
CYP26A1 O43174 1/20 0.39

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
SCHEMBL3020924 0.90 CNR2 (0.71) CNR2RARBRARGRARARXRA
SCHEMBL3019041 0.88 CNR2 (0.66) CNR2RARBRARGRARAPTGS1
SCHEMBL3024232 0.87 CNR2 (0.66) CNR2RARBRARGRARAPTGS1
SCHEMBL13211746 0.84 CNR2 (0.84) CNR2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL23705376 0.83 RARB (0.51) CNR2RARBRARGRARAPTGS1
SCHEMBL3007576 0.83 CNR2 (1.00) CNR2PTGS1PTGS2ALDH1A1NPC1
SCHEMBL3017930 0.83 CNR2 (0.66) CNR2PTGS1PTGS2ALDH1A1KDM4E
SCHEMBL3020426 0.79 CNR2 (0.58) CNR2RARBRARGRARARXRA
SCHEMBL3019768 0.78 CNR2 (0.58) CNR2RARBRARGRARARXRA
SCHEMBL3017974 0.78 CNR2 (0.78) CNR2RARBRARGRARARXRA

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 10 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
CN-101801187-A heterocyclic modulators of cannabinoid receptors UNIV TEXAS 2010-08-11 CN 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 2/4885RARB 817/4885RARG 630/4885
US-20130237536-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 CNR2 2/4885RARB 817/4885RARG 630/4885
US-20150148408-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 CNR2 2/4885RARB 817/4885RARG 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.