SCHEMBL3456680

SCHEMBL3456680

COc1c(B(O)O)cccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
PDE4B Q07343 5/20 0.44
PDE4A P27815 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
PRSS1 P07477 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL12157392 0.90 MGLL (0.44) ENPP2ROCK2ROCK1PDE4BPDE4A
SCHEMBL22736369 0.89 ROCK2 (0.44) ENPP2ROCK2ROCK1PDE4BPDE4A
SCHEMBL26702092 0.83 HSD17B10 (0.42) ENPP2ROCK2ROCK1ALDH1A1KDM4E
SCHEMBL13385087 0.82 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DNR1H4
SCHEMBL5840798 0.82 EGFR (0.41) ENPP2NR1H4HTTKDM4EL3MBTL1
SCHEMBL14176639 0.79 SCN8A (0.45) PDE4BPDE4APDE4CPDE4DNR1H4
SCHEMBL910660 0.78 ALDH1A1 (0.44) ENPP2ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL21933 0.78 ALDH1A1 (0.48) ENPP2ALDH1A1PDCD1CD274BACE1
SCHEMBL29838597 0.78 ALDH1A1 (0.48) ENPP2ALDH1A1PDCD1CD274BACE1
Benzene SCHEMBL28163950 0.78 ALDH1A1 (0.48) ENPP2ALDH1A1PDCD1CD274BACE1

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
CN-112552291-B Organic electroluminescent material and organic electroluminescent device thereof 河北瑞芯电子新材料有限公司 2022-10-25 CN disclosed
CN-112552291-A Organic electroluminescent material and organic electroluminescent device thereof 河北瑞芯电子新材料有限公司 2021-03-26 CN disclosed
US-9776995-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-10-03 US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 US disclosed
US-20150266892-A1 AMPK Modulators MERCURY THERAPEUTICS INC (US) 2015-09-24 US disclosed
US-8980895-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2015-03-17 US disclosed
WO-2014201173-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2014-12-18 WO disclosed
US-20120302576-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2012-11-29 US disclosed
US-8273744-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2012-09-25 US disclosed
EP-2240016-A1 AMPK MODULATORS Mercury Therapeutics, Inc. (US) 2010-10-20 EP disclosed
US-20100009992-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2010-01-14 US disclosed
WO-2009100130-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. (US) 2009-08-13 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-20150266892-A1 AMPK Modulators PRKAG1, PRKAG2, PRKAG3 ENPP2 2338/4885ROCK2 1793/4885ROCK1 1696/4885
US-20120302576-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 ENPP2 2338/4885ROCK2 1793/4885ROCK1 1696/4885
US-20100009992-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 ENPP2 2338/4885ROCK2 1793/4885ROCK1 1696/4885
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors SCN7A, SCN1A, SCN5A ENPP2 1460/4885ROCK2 4642/4885ROCK1 4672/4885

“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.