SCHEMBL3908596

SCHEMBL3908596

O=C(O)Cc1cccc(-c2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.66
NR4A2 P43354 2/20 0.63
MRGPRX4 Q96LA9 2/20 0.63
FFAR4 Q5NUL3 2/20 0.58
ENPP2 Q13822 1/20 0.58
FFAR1 O14842 3/20 0.57
AKR1B1 P15121 1/20 0.57
MAOB P27338 1/20 0.56
NR1H4 Q96RI1 1/20 0.55
HDAC4 P56524 1/20 0.54
SMPD1 P17405 1/20 0.54
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
F11 P03951 1/20 0.53
KLKB1 P03952 1/20 0.53
F7 P08709 1/20 0.53
TPSB2 P20231 1/20 0.53
LTB4R Q15722 1/20 0.53

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
SCHEMBL954459 0.91 NR4A2 (0.66) NR4A2FFAR1MAOBSMPD1KMT2A
SCHEMBL12746032 0.88 NR4A2 (0.60) CFDNR4A2MRGPRX4FFAR4FFAR1
SCHEMBL5580868 0.87 MAOB (0.59) CFDNR4A2MRGPRX4FFAR1MAOB
SCHEMBL12746034 0.86 NR4A2 (0.58) CFDNR4A2MRGPRX4FFAR4FFAR1
SCHEMBL379076 0.85 FFAR1 (0.73) NR4A2MRGPRX4FFAR4FFAR1AKR1B1
SCHEMBL3566811 0.85 FFAR1 (0.59) CFDNR4A2MRGPRX4FFAR4FFAR1
SCHEMBL379281 0.85 MAOB (0.67) NR4A2MRGPRX4FFAR4MAOBNR1H4
SCHEMBL4214472 0.85 RXRA (0.62) CFDNR4A2MRGPRX4ENPP2FFAR1
SCHEMBL3511533 0.85 FFAR1 (0.59) NR4A2FFAR4FFAR1MAOBSMPD1
SCHEMBL3569632 0.85 PPARG (0.62) CFDNR4A2MRGPRX4FFAR4FFAR1

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 8 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
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT 2009-12-10 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP 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 (5 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 CFD 4758/4885NR4A2 1893/4885MRGPRX4 158/4885
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, CNR2 CFD 2991/4885NR4A2 728/4885MRGPRX4 40/4885
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 CFD 2080/4885NR4A2 339/4885MRGPRX4 1495/4885
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity FAAH, FAAH2, CNR2 CFD 4550/4885NR4A2 1727/4885MRGPRX4 592/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 CFD 4809/4885NR4A2 1509/4885MRGPRX4 177/4885

“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.