SCHEMBL2518232

SCHEMBL2518232

C=C(CC(=O)O)C(=O)OC(CC)CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.39
PRKCD Q05655 2/20 0.39
CTSK P43235 4/20 0.33
EGLN1 Q9GZT9 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 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
SCHEMBL5175528 0.89 ALOX15 (0.36) CTSKEGLN1ALOX15HSD17B10
SCHEMBL10695446 0.89 GPR84 (0.38) PRKCAPRKCDCTSKCTSLCTSB
SCHEMBL8460905 0.88 MAPT (0.34) PRKCAPRKCDCTSKALOX15HSD17B10
SCHEMBL11430759 0.87 CTSK (0.44) PRKCAPRKCDCTSKALOX15HSD17B10
SCHEMBL11689448 0.86 PRKCA (0.39) PRKCAPRKCDCTSKCA1CA2
SCHEMBL8462672 0.84 ALOX15 (0.33) EGLN1ALOX15HSD17B10
Itaconate SCHEMBL28623652 0.83 ALOX15 (0.42) PRKCAPRKCDCTSKALOX15HSD17B10
SCHEMBL27990138 0.83 CTSK (0.40) PRKCAPRKCDCTSKALOX15HSD17B10
SCHEMBL28292545 0.81 CACNA2D1 (0.33) CTSKALOX15HSD17B10ADRA1A
SCHEMBL10396700 0.81 CHRM1 (0.33) ALOX15HSD17B10CHRM1AKR1A1CHRM3

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-102307854-B Mixtures of itaconic acid or itaconic acid derivatives with primary amines for the preparation of 1, 3-and 1, 4-alkylmethylpyrrolidones BASF SE 2014-11-12 CN disclosed
US-8796472-B2 Mixtures of itaconic acid or itaconic acid derivatives and primary amines for producing 1,3- and 1,4-alkyl methyl pyrrolidones BASF SE (DE) 2014-08-05 US disclosed
CN-102307854-A Mixtures of itaconic acid or itaconic acid derivatives with primary amines for the preparation of 1, 3-and 1, 4-alkylmethylpyrrolidones BASF SE 2012-01-04 CN disclosed
US-20110251119-A1 MIXTURES OF ITACONIC ACID OR ITACONIC ACID DERIVATIVES AND PRIMARY AMINES FOR PRODUCING 1,3- AND 1,4-ALKYL METHYL PYRROLIDONES BASF SE (DE) 2011-10-13 US disclosed
US-4051194-A Thermosetting resin composition for powder paint comprising of a (I) polymer consisting of β-methylglycidyl (meth)acrylate, styrene, unsaturated dialkyl ester, alkylacrylate and (II) saturated aliphatic dibasic acid DAINIPPON INK AND CHEMICALS, INC. (JA) 1977-09-27 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-20110251119-A1 MIXTURES OF ITACONIC ACID OR ITACONIC ACID DERIVATIVES AND PRIMARY AMINES FOR PRODUCING 1,3- AND 1,4-ALKYL METHYL PYRROLIDONES HADHA, HADH, ASS1 PRKCA 3344/4885PRKCD 3043/4885CTSK 3966/4885

“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.