SCHEMBL1172115

SCHEMBL1172115

COc1cccc(/C=C/CCCCCOc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.50
CHRNA7 P36544 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
RELA Q04206 1/20 0.49
MAOB P27338 4/20 0.48
MAOA P21397 2/20 0.48
BCHE P06276 1/20 0.47
FBP1 P09467 1/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL1172116 1.00 NFE2L2 (0.50) NFE2L2CHRNA7CHRM2CHRM1CHRM3
SCHEMBL1171656 0.86 LTB4R (0.56) CHRNA7MAOBMAOALTB4RLTB4R2
SCHEMBL1171655 0.86 LTB4R (0.56) CHRNA7MAOBMAOALTB4RLTB4R2
SCHEMBL8419872 0.84 AHR (0.57) CHRNA7MAOBMAOA
SCHEMBL8419871 0.84 AHR (0.57) CHRNA7MAOBMAOA
SCHEMBL3299520 0.84 RELA (0.53) NFE2L2CHRM2CHRM1CHRM3RELA
SCHEMBL1931880 0.81 RELA (0.56) NFE2L2CHRNA7CHRM2CHRM1CHRM3
SCHEMBL1931877 0.81 RELA (0.56) NFE2L2CHRNA7CHRM2CHRM1CHRM3
SCHEMBL3135246 0.80 LTB4R (0.58) CHRM2CHRM1CHRM3RELAMAOB
SCHEMBL3135249 0.80 LTB4R (0.58) CHRM2CHRM1CHRM3RELAMAOB

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-9102622-B2 Fatty acid amide hydrolase inhibitors UNIVERSITY OF CONNECTICUT (US) 2015-08-11 US disclosed
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 US disclosed
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 US disclosed
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity CONNECTICUT, UNIVERSITY OF 2010-09-16 US disclosed
EP-2203058-A1 METHODS AND COMPOUNDS FOR MODULATING CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2010-07-07 EP disclosed
EP-2203412-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2010-07-07 EP disclosed
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT 2009-12-10 US disclosed
WO-2009052320-A1 METHODS AND COMPOUNDS FOR MODULATING CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2009-04-23 WO disclosed
WO-2009052319-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2009-04-23 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 (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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 NFE2L2 4198/4885CHRNA7 700/4885CHRM2 816/4885
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, CNR2 NFE2L2 3568/4885CHRNA7 265/4885CHRM2 764/4885
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity FAAH, FAAH2, CNR2 NFE2L2 1927/4885CHRNA7 469/4885CHRM2 2604/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 NFE2L2 3835/4885CHRNA7 360/4885CHRM2 640/4885

“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.