SCHEMBL1132535

SCHEMBL1132535

CCCC(C)(Cl)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
FFAR1 O14842 1/20 0.43
CPT2 P23786 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.38
FFAR3 O14843 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ALDH1A1 P00352 3/20 0.33
FDPS P14324 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1132145 0.80
SCHEMBL1706416 0.78 HMGCR (0.40) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL5540263 0.75 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL974936 0.75 FFAR1 (0.65) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL4742763 0.75 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL1706460 0.74 HMGCR (0.37) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL333179 0.73 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AFFAR1
Hydrochloric Acid SCHEMBL5669465 0.73 FFAR1 (0.62) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL2152498 0.73 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL2153315 0.73 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AFFAR1

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 5 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

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 HMGCR 630/4885CHRM1 3720/4885TBXA2R 3757/4885

“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.