SCHEMBL1131994

SCHEMBL1131994

CC(Cl)CCC(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.56
CYP1A2 P05177 1/20 0.56
BLM P54132 1/20 0.48
ACE2 Q9BYF1 1/20 0.45
LTA4H P09960 1/20 0.43
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.38
FOLH1 Q04609 2/20 0.38
NAALAD2 Q9Y3Q0 2/20 0.38
ENPEP Q07075 2/20 0.38
ALDH1A1 P00352 1/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL5139179 0.85 GABRR1 (0.72) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL1131948 0.78
SCHEMBL286996 0.78
SCHEMBL17285499 0.77 BLM (0.73) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL16330413 0.77 BLM (0.65) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL4636783 0.77 GABRR1 (0.62) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL580558 0.77 BLM (0.65) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL233225 0.77 BLM (0.73) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL17443151 0.77 GABRR1 (0.62) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL7179523 0.77 BLM (0.65) GABRR1CYP1A2BLMACE2LTA4H

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 GABRR1 2290/4885CYP1A2 296/4885BLM 3865/4885

“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.