SCHEMBL4680557

SCHEMBL4680557

CCCCCC=CCC=CCC=CCC=CCCC(CCCCC)C(=O)NCCO

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.74
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 2/20 0.60
BLM P54132 2/20 0.60
KMT2A Q03164 2/20 0.60
TRPV1 Q8NER1 2/20 0.60
CNR2 P34972 2/20 0.60
TRPM8 Q7Z2W7 1/20 0.60
FAAH O00519 1/20 0.60
KCNK3 O14649 1/20 0.60
HPGD P15428 2/20 0.59
MAPT P10636 1/20 0.59
ALOX12 P18054 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL31438090 0.87 CNR1 (0.59) CNR1
SCHEMBL7645975 0.85 CNR1 (1.00) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL27641178 0.85 CNR1 (1.00) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL8110427 0.85 CNR1 (0.56) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL8113790 0.83 CNR1 (0.54) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL30583839 0.83 EPHX2 (0.55) CNR1
SCHEMBL31438085 0.83 EPHX2 (0.55) CNR1
SCHEMBL31438096 0.83 EPHX2 (0.55) CNR1
SCHEMBL31438086 0.83 EPHX2 (0.55) CNR1
SCHEMBL15364768 0.83 CNR1 (0.76) CNR1ALDH1A1MEN1BLMKMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494673-B1 COMPOUNDS HAVING UNIQUE CB1 RECEPTOR BINDING SELECTIVITY AND METHODS FOR THEIR PRODUCTION AND USE RES TRIANGLE INST (US) 2008-08-13 EP disclosed
US-7285687-B2 Cannabinoids VIRGINIA COMMONWEALTH UNIVERSITY (US) 2007-10-23 US disclosed
US-7179800-B2 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2007-02-20 US disclosed
US-20070037890-A1 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2007-02-15 US disclosed
EP-1494673-A4 COMPOUNDS HAVING UNIQUE CB1 RECEPTOR BINDING SELECTIVITY AND METHODS FOR THEIR PRODUCTION AND USE RES TRIANGLE INST (US) 2006-01-18 EP disclosed
US-20050165259-A1 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-07-28 US disclosed
US-20050159449-A1 Cannabinoids VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-07-21 US disclosed
EP-1494673-A1 COMPOUNDS HAVING UNIQUE CB1 RECEPTOR BINDING SELECTIVITY AND METHODS FOR THEIR PRODUCTION AND USE RESEARCH TRIANGLE INSTITUTE (US) 2005-01-12 EP disclosed
US-6825209-B2 AN AMIDE DERIVATIVE USED AS CANNABINOID ANTAGONIST FOR THE TREATMENT OF OBESITY, SCHIZOPHRENIA, MEMORY DYSFUNCTION AND MARIJUANA ABUSE RESEARCH TRIANGLE INSTITUTE 2004-11-30 US disclosed
WO-2003091189-A1 CANNABINOIDS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2003-11-06 WO disclosed
WO-2003088968-A1 COMPOUNDS HAVING UNIQUE CB1 RECEPTOR BINDING SELECTIVITY AND METHODS FOR THEIR PRODUCTION AND USE RESEARCH TRIANGLE INSTITUTE (US) 2003-10-30 WO disclosed
US-20030199536-A1 Compounds having unique CB1 receptor binding selectivity and methods for their production and use RESEARCH TRIANGLE INSTITUTE (US) 2003-10-23 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 (4 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-20030199536-A1 Compounds having unique CB1 receptor binding selectivity and methods for their production and use CNR1, CNR2, GPR18 CNR1 1/4885ALDH1A1 3141/4885MEN1 4450/4885
US-20050165259-A1 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease CNR1, CNR2, HRH4 CNR1 1/4885ALDH1A1 3786/4885MEN1 770/4885
US-20050159449-A1 Cannabinoids CNR1, CNR2, OPRL1 CNR1 1/4885ALDH1A1 3865/4885MEN1 2722/4885
US-20070037890-A1 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease CNR1, CNR2, HRH4 CNR1 1/4885ALDH1A1 3786/4885MEN1 770/4885

“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.