SCHEMBL3298491

SCHEMBL3298491

CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 1.00
CNR1 P21554 13/20 1.00
GPR55 Q9Y2T6 4/20 0.57
GPR18 Q14330 3/20 0.57
HSD17B3 P37058 1/20 0.40

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
SCHEMBL29385133 1.00 CNR2 (1.00) CNR2CNR1GPR55GPR18HSD17B3
SCHEMBL29929142 1.00 CNR2 (1.00) CNR2CNR1GPR55GPR18HSD17B3
SCHEMBL14454507 0.96 CNR2 (0.92) CNR2CNR1GPR55GPR18
SCHEMBL5550044 0.90 CNR2 (0.82) CNR2CNR1GPR55GPR18
SCHEMBL5553151 0.89 CNR2 (0.81) CNR2CNR1GPR55GPR18
SCHEMBL4567352 0.89 CNR2 (0.80) CNR2CNR1GPR55GPR18
SCHEMBL14454514 0.89 CNR2 (0.80) CNR2CNR1GPR55GPR18
SCHEMBL14454500 0.89 CNR2 (0.79) CNR2CNR1GPR55GPR18
SCHEMBL14454509 0.89 CNR2 (0.79) CNR2CNR1GPR55GPR18
SCHEMBL5549479 0.88 CNR2 (0.78) CNR2CNR1GPR55GPR18

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-7741365-B2 Peripheral cannabinoid receptor (CB2) selective ligands UNIVERSITY OF CONNECTICUT (US) 2010-06-22 US disclosed
US-7741365-B2 Peripheral cannabinoid receptor (CB2) selective ligands UNIVERSITY OF CONNECTICUT (US) 2010-06-22 US disclosed
EP-1223808-B1 PERIPHERAL CANNABINOID RECEPTOR (CB2) SELECTIVE LIGANDS UNIV CONNECTICUT (US) 2007-03-07 EP disclosed
US-20060189610-A1 Peripheral cannabinoid receptor (CB2) selective ligands UNIVERSITY OF CONNECTICUT 2006-08-24 US disclosed
US-6995187-B1 Peripheral cannabinoid receptor (CB2) selective ligands UNIVERSITY OF CONNECTICUT (US) 2006-02-07 US disclosed
WO-2004078261-A1 CANNABINOID RECEPTOR INVERSE AGONISTS AND NEUTRAL ANTAGONISTS AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE DISORDERS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2004-09-16 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 (1 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-20060189610-A1 Peripheral cannabinoid receptor (CB2) selective ligands CNR2, CNR1, GPR18 CNR2 1/4885CNR1 2/4885GPR55 12/4885

“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.