SCHEMBL3023191

SCHEMBL3023191

C=C(C)COc1ccc(C(=O)OC)cc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
MAPT P10636 8/20 0.43
CREBBP Q92793 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 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
SCHEMBL3009040 0.89 MAPT (0.43) MGLLMAPTCREBBPCA12CA1
SCHEMBL642934 0.84 MAPT (0.59) MGLLMAPTALDH1A1HSD17B10TSHR
SCHEMBL2912573 0.84 MAPT (0.59) MAPTCA12CA1CA2CA7
SCHEMBL20876235 0.84 MAPT (0.46) MGLLMAPTCREBBPCA1CA2
SCHEMBL18581520 0.83 USP2 (0.56) MAPTCREBBPALDH1A1HSD17B10USP2
SCHEMBL3629768 0.83 NOTUM (0.48) MAPTCA12CA1CA2CA7
SCHEMBL3410155 0.82 MGLL (0.56) MGLLMAPTCREBBPCA12CA1
SCHEMBL19558318 0.81 CA12 (0.54) MAPTCA12CA1CA2CA7
SCHEMBL28183665 0.81 MGLL (0.52) MGLLMAPTCREBBPCA12CA1
SCHEMBL31156176 0.81 MGLL (0.52) MGLLMAPTCREBBPCA12CA1

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 MGLL 546/4885MAPT 3055/4885CREBBP 471/4885
US-20130237536-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 MGLL 546/4885MAPT 3055/4885CREBBP 471/4885
US-20150148408-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 MGLL 546/4885MAPT 3055/4885CREBBP 471/4885

“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.