SCHEMBL1172269

SCHEMBL1172269

O=CCCCCCCOc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.64
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
LTA4H P09960 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
ALOX12 P18054 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
SCHEMBL2786288 1.00 KCNA3 (0.64) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL9683773 1.00 KCNA3 (0.64) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL96055 1.00 KCNA3 (0.64) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL7500091 1.00 KCNA3 (0.64) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL5593684 1.00 KCNA3 (0.64) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL96602 0.98 KCNA3 (0.67) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL96854 0.92 KCNA3 (0.62) KCNA3HDAC1HDAC2HDAC3HDAC4
Sulfuric Acid SCHEMBL25438065 0.91 KCNA3 (0.53) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL13861891 0.91 KCNA3 (0.53) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL13861888 0.91 KCNA3 (0.53) KCNA3HDAC1HDAC2HDAC3HDAC4

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-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
EP-2051964-A2 FATTY ACID AMIDE HYDROLASE INHIBITORS University of Connecticut (US) 2009-04-29 EP 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
WO-2008013963-A2 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT (US) 2008-01-31 WO disclosed
EP-1118629-B1 Polyhydroxyalkanoates and method of producing them by utilizing microorganisms CANON KK (JP) 2007-04-25 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 (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 KCNA3 1722/4885HDAC1 658/4885HDAC2 974/4885
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, CNR2 KCNA3 2485/4885HDAC1 1197/4885HDAC2 1341/4885
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity FAAH, FAAH2, CNR2 KCNA3 1676/4885HDAC1 2276/4885HDAC2 1635/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 KCNA3 1742/4885HDAC1 561/4885HDAC2 716/4885

“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.