SCHEMBL7757645

SCHEMBL7757645

CC(=O)OCCC(CO)OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.44
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
TSHR P16473 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39

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
SCHEMBL13825187 0.87 ALOX15 (0.44) PRKCAALOX15ALDH1A1CHRM5CHRM1
SCHEMBL14700430 0.83 PRKCA (0.40) PRKCACHRM1TSHRCHRM2CHRM4
SCHEMBL18652575 0.83 TDP1 (0.47) PRKCAALOX15ALDH1A1CHRM5CHRM1
SCHEMBL11913587 0.83 ALDH1A1 (0.45) PRKCAALOX15ALDH1A1CHRM5CHRM1
SCHEMBL4925985 0.82 ALOX15 (0.41) PRKCAALOX15ALDH1A1CHRM5CHRM1
SCHEMBL4918612 0.82 ALOX15 (0.41) PRKCAALOX15ALDH1A1CHRM5CHRM1
SCHEMBL4918620 0.82 ALOX15 (0.41) PRKCAALOX15ALDH1A1CHRM5CHRM1
SCHEMBL19257811 0.82 PRKCA (0.50) PRKCATDP1
SCHEMBL14700394 0.80 ALDH1A1 (0.45) PRKCAALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL11810542 0.80 ALOX15 (0.40) PRKCAALOX15ALDH1A1CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802352-B2 Salt, photoresist composition and method for producing photoresist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-12 US disclosed
US-20130040239-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-14 US disclosed
EP-0639586-B1 Phosphonic acid derivatives, process for their preparation and pharmaceutical compositions comprising them ADIR (FR) 2001-03-21 EP disclosed
US-5608045-A DISODIUM SALT BY POT REACTING RHAMNOSE TRIACETATE WITH PHENYL DICHLOROPHOSPHATE IN PRESENCE OF TRIETHYLAMINE AND WITH /S/LEU-/S/TRP-OET IN SOLVENT, SAPONIFYING SEPARATED PRODUCT WITH ETHANOLIC BASE IN COLD, EVAPORATING ETHANOL ADIR ET COMPAGNIE (FR) 1997-03-04 US disclosed
US-5591728-A ENZYME INHIBITORS WITH AMIDE AND ESTER GROUPS ADIR ET COMPAGNIE (FR) 1997-01-07 US disclosed
US-5481030-A USED AS AN ENDOTHELIN CONVERTASE INHIBITOR ADIR ET COMPAGNIE (FR) 1996-01-02 US disclosed
EP-0639586-A1 Phosphonic acid derivatives, process for their preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 1995-02-22 EP 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-20130040239-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN CRY1, H1-0, SPIN1 PRKCA 2560/4885ALOX15 1942/4885ALDH1A1 1898/4885

“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.