SCHEMBL20617554

SCHEMBL20617554

O=C(O)CCC1CC(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
FOLH1 Q04609 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PRKCA P17252 2/20 0.33
LMNA P02545 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGB2 P05107 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGB5 P18084 1/20 0.33
ITGAL P20701 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3280506 0.83 SMN1; SMN2 (0.36) HTTSMN1; SMN2PRKCAPPARG
SCHEMBL3280730 0.79 PRKCA (0.35) HTTSMN1; SMN2PRKCAPPARG
SCHEMBL29191440 0.78 SMN1; SMN2 (0.48) SMN1; SMN2PPARG
SCHEMBL1114400 0.78 CYP1A2 (0.51) HTTFOLH1KDM4EFFAR1FFAR4
SCHEMBL7176099 0.77 SMN1; SMN2 (0.34) SMN1; SMN2PPARG
SCHEMBL26754309 0.76 ALDH1A1 (0.41) SMN1; SMN2PRKCAPPARG
SCHEMBL20617553 0.76 SIRT2 (0.36) SMN1; SMN2PRKCA
SCHEMBL8744035 0.75 CYP1A2 (0.37) SMN1; SMN2PRKCAPPARG
Oxalic Acid SCHEMBL31339543 0.75 CYP1A2 (0.41) SMN1; SMN2PRKCAPPARG
SCHEMBL7399173 0.75 CYP1A2 (0.41) HTTFOLH1KDM4EFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814360-B2 Isocyanates, derivatives, and processes for producing the same NOVOMER, INC. (US) 2023-11-14 US disclosed
US-11814498-B2 Polylactone foams and methods of making the same NOVOMER, INC. (US) 2023-11-14 US disclosed
US-20210324168-A1 POLYLACTONE FOAMS AND METHODS OF MAKING THE SAME NOVOMER, INC. 2021-10-21 US disclosed
US-20210277028-A1 METAL-ORGANIC FRAMEWORK CATALYSTS, AND USES THEREOF NOVOMER, INC. 2021-09-09 US disclosed
US-10961209-B2 Processes for producing beta-lactone and beta-lactone derivatives with heterogenous catalysts NOVOMER, INC. (US) 2021-03-30 US disclosed
US-20200331876-A1 ISOCYANATES, DERIVATIVES, AND PROCESSES FOR PRODUCING THE SAME NOVOMER, INC. 2020-10-22 US disclosed
US-10676426-B2 Acrylonitrile derivatives from epoxide and carbon monoxide reagents NOVOMER, INC. (US) 2020-06-09 US disclosed
US-10590099-B1 Processes for producing beta-lactone with heterogenous catalysts NOVOMER, INC. (US) 2020-03-17 US disclosed
US-10457624-B2 Systems and processes for thermolysis of polylactones to produce organic acids NOVOMER, INC. (US) 2019-10-29 US disclosed
US-20190076834-A1 Processes Using Multifunctional Catalysts NOVOMER, INC. (US) 2019-03-14 US disclosed
US-20190076835-A1 PROCESSSES USING MULTIFUNCTIONAL CATALYSTS NOVOMER, INC. 2019-03-14 US disclosed
US-20190047972-A1 PROCESSES FOR PRODUCING BETA-LACTONE AND BETA-LACTONE DERIVATIVES WITH HETEROGENOUS CATALYSTS NOVOMER, INC. (US) 2019-02-14 US disclosed
US-20190002293-A1 Biobased Carbon Fibers and Carbon Black and Methods of Making the Same NOVOMER, INC. (US) 2019-01-03 US disclosed
US-20190002400-A1 Acrylonitrile Derivatives from Epoxide and Carbon Monoxide Reagents NOVOMER, INC. (US) 2019-01-03 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 (12 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-10676426-B2 Acrylonitrile derivatives from epoxide and carbon monoxide reagents POR, AGL, ALK HTT 4190/4885FOLH1 3553/4885KDM4E 3160/4885
US-20200331876-A1 ISOCYANATES, DERIVATIVES, AND PROCESSES FOR PRODUCING THE SAME IDH1, IDH2, IDH3A HTT 2806/4885FOLH1 676/4885KDM4E 495/4885
US-10590099-B1 Processes for producing beta-lactone with heterogenous catalysts HBZ, AGL, RIOX2 HTT 4425/4885FOLH1 1959/4885KDM4E 1395/4885
US-20190002293-A1 Biobased Carbon Fibers and Carbon Black and Methods of Making the Same AGL, CBR1, FASN HTT 1334/4885FOLH1 2785/4885KDM4E 2146/4885
US-20190076834-A1 Processes Using Multifunctional Catalysts COASY, PTGIS, CBR1 HTT 4601/4885FOLH1 1934/4885KDM4E 881/4885
US-11814360-B2 Isocyanates, derivatives, and processes for producing the same IDH1, IDH2, IDH3A HTT 2806/4885FOLH1 676/4885KDM4E 495/4885
US-10457624-B2 Systems and processes for thermolysis of polylactones to produce organic acids AGL, OSTC, POR HTT 4173/4885FOLH1 1958/4885KDM4E 3822/4885
US-20210277028-A1 METAL-ORGANIC FRAMEWORK CATALYSTS, AND USES THEREOF PPOX, PCCA, MCCC2 HTT 4866/4885FOLH1 1620/4885KDM4E 2993/4885
US-20190002400-A1 Acrylonitrile Derivatives from Epoxide and Carbon Monoxide Reagents POR, AGL, ALK HTT 4190/4885FOLH1 3553/4885KDM4E 3160/4885
US-10961209-B2 Processes for producing beta-lactone and beta-lactone derivatives with heterogenous catalysts AGL, HBZ, RIOX2 HTT 4653/4885FOLH1 2304/4885KDM4E 1489/4885
US-20190047972-A1 PROCESSES FOR PRODUCING BETA-LACTONE AND BETA-LACTONE DERIVATIVES WITH HETEROGENOUS CATALYSTS AGL, HBZ, RIOX2 HTT 4653/4885FOLH1 2304/4885KDM4E 1489/4885
US-20190076835-A1 PROCESSSES USING MULTIFUNCTIONAL CATALYSTS COASY, PTGIS, POR HTT 4677/4885FOLH1 1240/4885KDM4E 473/4885

“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.