SCHEMBL1131944

SCHEMBL1131944

CC(CC(=O)O)C(Cl)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
GABBR2 O75899 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APAF1 O14727 1/20 0.40

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
SCHEMBL11828434 0.90 FFAR1 (0.53) FFAR1MAPTALDH1A1
SCHEMBL1149768 0.79 FFAR1 (0.70) FFAR1GABBR2GABBR1CYP2C19MAPT
SCHEMBL237091 0.79 FFAR1 (0.70) FFAR1GABBR2GABBR1CYP2C19MAPT
SCHEMBL237090 0.79 FFAR1 (0.70) FFAR1GABBR2GABBR1CYP2C19MAPT
SCHEMBL28324934 0.78 FFAR1 (0.68) FFAR1GABBR2GABBR1CYP2C19MAPT
SCHEMBL2899426 0.78 FFAR1 (0.68) FFAR1GABBR2GABBR1CYP2C19MAPT
Hydrochloric Acid SCHEMBL2005345 0.78 FFAR1 (0.68) FFAR1GABBR2GABBR1CYP2C19ALDH1A1
SCHEMBL1669595 0.77 GABBR2 (0.52) GABBR2GABBR1CYP2C19MAPT
SCHEMBL16116716 0.77 GABBR2 (0.47) FFAR1GABBR2GABBR1CYP2C19MAPT
Acetic Acid SCHEMBL159740 0.76 FFAR1 (0.66) FFAR1GABBR2GABBR1CYP2C19ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101084186-B Isocyanate compound and process for producing the same, and reactive monomer, reactive (meth)acrylate polymer and its use SHOWA DENKO KK 2011-05-11 CN disclosed
EP-1812381-B1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO KK (JP) 2011-02-16 EP disclosed
US-7579066-B2 Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth) acrylate polymer and its use SHOWA DENKO K.K. (JP) 2009-08-25 US disclosed
US-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use RESONAC CORPORATION (JP) 2008-06-05 US disclosed
CN-101084186-A Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth)acrylate polymer and its use SHOWA DENKO KK (JP) 2007-12-05 CN disclosed
EP-1812381-A1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO KABUSHIKI KAISHA (JP) 2007-08-01 EP disclosed
WO-2006049264-A1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO K.K. (JP) 2006-05-11 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 (1 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-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use ACAD9, ELOVL6, ELOVL5 FFAR1 358/4885GABBR2 2020/4885GABBR1 2567/4885

“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.