SCHEMBL13617461

SCHEMBL13617461

COc1cccc(B(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.67
ACHE P22303 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
CA4 P22748 1/20 0.50
RELA Q04206 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CHRM5 P08912 1/20 0.44
CA12 O43570 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LTA4H P09960 1/20 0.43
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL21658445 0.84 ENPP2 (0.69) ENPP2ACHECA1CA2CA7
SCHEMBL12524808 0.83 ENPP2 (0.74) ENPP2ACHECA1CA2CA7
SCHEMBL5140 0.80 ENPP2 (1.00) ENPP2ACHECA1CA2CA7
SCHEMBL7344145 0.80 ENPP2 (1.00) ENPP2ACHECA1CA2CA7
SCHEMBL17236462 0.80 ENPP2 (0.64) ENPP2ACHECA1CA2CA7
SCHEMBL14986000 0.80 ENPP2 (0.64) ENPP2ACHECA1CA2CA7
Methyl Alcohol SCHEMBL28712606 0.78 ENPP2 (0.96) ENPP2ACHECA1CA2CA7
1,3-Dimethoxybenzene SCHEMBL901285 0.77 ACHE (0.70) ENPP2ACHECA1CA2CA7
SCHEMBL14379304 0.77 ENPP2 (0.36) ENPP2ACHECA7ALDH1A1CA4
1,3-Dimethoxybenzene SCHEMBL9350 0.77 ACHE (0.70) ENPP2ACHECA1CA2CA7

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-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8629125-B2 Inhibitors of fatty acid amide hydrolase Infinty Pharmaceuticals, Inc. (US) 2014-01-14 US disclosed
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-8349814-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE ADAMS JULIAN 2011-09-22 US disclosed
US-20090275070-A1 Compounds and Methods of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HOUSEY GERARD M 2009-11-05 US disclosed
US-20090275070-A1 Compounds and Methods of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HOUSEY GERARD M 2009-11-05 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-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ENPP2 36/4885ACHE 689/4885CA1 908/4885
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ICOSLG ENPP2 2131/4885ACHE 597/4885CA1 4821/4885
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ENPP2 36/4885ACHE 689/4885CA1 908/4885
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ENPP2 36/4885ACHE 689/4885CA1 908/4885

“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.