SCHEMBL1132009

SCHEMBL1132009

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ADRA1A P35348 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
PGD P52209 1/20 0.35
TSHR P16473 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 1/20 0.34
GABRR1 P24046 2/20 0.33
LMNA P02545 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
HTR2B P41595 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
SCHEMBL6463740 0.78 SLC22A6 (0.35) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR
SCHEMBL3396519 0.77 ECE1 (0.32)
SCHEMBL10866600 0.76 SLC22A6 (0.41) SLC22A6TDP1SMN1; SMN2TSHRCYP2D6
SCHEMBL10915207 0.75 FOLH1 (0.44) TSHRCYP2D6CYP2C19
SCHEMBL10635301 0.73 SLC22A6 (0.40) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR
SCHEMBL9117622 0.72 SLC22A6 (0.43) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR
SCHEMBL28551189 0.72 SLC22A6 (0.43) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR
SCHEMBL7592946 0.72 SLC22A6 (0.38) SLC22A6TDP1SMN1; SMN2PGDTSHR
SCHEMBL9504373 0.72 SLC22A6 (0.38) SLC22A6TDP1SMN1; SMN2TSHRGABRR1
SCHEMBL28600244 0.72 TDP1 (0.54) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073296-A Method and device for rapidly detecting propylene glycol in food 深圳市易瑞生物技术股份有限公司 2022-09-20 CN claimed
CN-115073296-B Method and device for rapidly detecting propylene glycol in food 深圳市易瑞生物技术股份有限公司 2022-11-01 CN disclosed
CN-115073296-A Method and device for rapidly detecting propylene glycol in food 深圳市易瑞生物技术股份有限公司 2022-09-20 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

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 SLC22A6 2461/4885TDP1 2625/4885ADRA1A 4609/4885

“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.