SCHEMBL1171850

SCHEMBL1171850

COC(=O)c1cccc(-c2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.65
NR1H4 Q96RI1 1/20 0.63
MAOB P27338 2/20 0.62
NR4A2 P43354 2/20 0.61
SMPD1 P17405 2/20 0.59
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
PTPN1 P18031 1/20 0.56
SRD5A2 P31213 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
GPR132 Q9UNW8 1/20 0.54
BCL2L1 Q07817 1/20 0.54
MCL1 Q07820 1/20 0.54

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
SCHEMBL30412034 0.92 MAOB (0.73) MRGPRX4NR1H4MAOBNR4A2SMPD1
SCHEMBL976424 0.92 MAOB (0.73) MRGPRX4NR1H4MAOBNR4A2SMPD1
SCHEMBL3678773 0.91 MRGPRX4 (0.64) MRGPRX4NR1H4MAOBNR4A2SMPD1
SCHEMBL7719391 0.90 MRGPRX4 (0.70) MRGPRX4MAOBNR4A2SMPD1
SCHEMBL1122805 0.89 MRGPRX4 (0.71) MRGPRX4NR1H4MAOBNR4A2SMPD1
SCHEMBL1122722 0.88 MAOB (0.68) MRGPRX4MAOBNR4A2SMPD1LMNA
SCHEMBL3911336 0.87 MRGPRX4 (0.62) MRGPRX4NR1H4MAOBNR4A2SMPD1
SCHEMBL731203 0.85 LMNA (0.62) MRGPRX4NR1H4MAOBNR4A2SMPD1
SCHEMBL10411878 0.84 MRGPRX4 (0.77) MRGPRX4MAOBNR4A2SMPD1
SCHEMBL8157075 0.84 MRGPRX4 (0.70) MRGPRX4NR1H4NR4A2LMNA

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
US-9102622-B2 Fatty acid amide hydrolase inhibitors UNIVERSITY OF CONNECTICUT (US) 2015-08-11 US disclosed
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-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-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
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
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT 2009-12-10 US 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

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 MRGPRX4 158/4885NR1H4 539/4885MAOB 151/4885
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, CNR2 MRGPRX4 40/4885NR1H4 25/4885MAOB 100/4885
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity FAAH, FAAH2, CNR2 MRGPRX4 592/4885NR1H4 178/4885MAOB 916/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 MRGPRX4 177/4885NR1H4 438/4885MAOB 139/4885

“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.