SCHEMBL1131815

SCHEMBL1131815

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
GABRR1 P24046 2/20 0.41
NAALAD2 Q9Y3Q0 3/20 0.35
FOLH1 Q04609 2/20 0.35
ENPEP Q07075 2/20 0.35
BLM P54132 1/20 0.35
TP53 P04637 1/20 0.35
ACE2 Q9BYF1 1/20 0.33
LTA4H P09960 1/20 0.32

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
SCHEMBL11365504 0.82 GABRR1 (0.42) CYP1A2GABRR1NAALAD2FOLH1ENPEP
SCHEMBL10960652 0.79 GABRR1 (0.37) CYP1A2GABRR1NAALAD2FOLH1ENPEP
SCHEMBL250969 0.79 GABRR1 (0.44) CYP1A2GABRR1NAALAD2FOLH1ENPEP
SCHEMBL5539684 0.79 GABRR1 (0.44) CYP1A2GABRR1NAALAD2FOLH1ENPEP
SCHEMBL16749901 0.79 GABRR1 (0.44) CYP1A2GABRR1NAALAD2FOLH1ENPEP
SCHEMBL27335599 0.78 GABRR1 (0.39) CYP1A2GABRR1NAALAD2FOLH1ENPEP
SCHEMBL22396499 0.77 GABRR1 (0.42) CYP1A2GABRR1NAALAD2FOLH1ENPEP
SCHEMBL25660349 0.77 GABRR1 (0.42) CYP1A2GABRR1NAALAD2FOLH1ENPEP
SCHEMBL4450853 0.77 GABRR1 (0.42) CYP1A2GABRR1NAALAD2FOLH1ENPEP
SCHEMBL15905686 0.75 GABRR1 (0.41) CYP1A2GABRR1NAALAD2FOLH1ENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4520209-A Process for cyclizing upsilon-chlorocarboxylic acids DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-05-28 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 (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 CYP1A2 296/4885GABRR1 2290/4885NAALAD2 1822/4885

“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.