SCHEMBL2356624

SCHEMBL2356624

CCCOC(=O)CC(C)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HCAR2 Q8TDS4 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 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
SCHEMBL17350548 0.91 ELANE (0.41) ELANENAAADGKAALDH1A1MAPT
SCHEMBL2247326 0.88 DGKA (0.37) ELANENAAADGKAALDH1A1MAPT
SCHEMBL23646835 0.88 NAAA (0.48) ELANENAAADGKAALDH1A1HCAR2
Ether SCHEMBL2247324 0.88 ALDH1A1 (0.33) ELANENAAADGKAALDH1A1HCAR2
SCHEMBL20171338 0.86 DGKA (0.47) ELANENAAADGKAALDH1A1MAPT
SCHEMBL28237277 0.86 NAAA (0.57) NAAADGKAALDH1A1HCAR2MAPT
SCHEMBL8569867 0.85 ELANE (0.38) ELANENAAADGKAALDH1A1MAPT
SCHEMBL1031054 0.85 ALDH1A1 (0.39) ELANENAAADGKAALDH1A1MAPT
SCHEMBL28433218 0.85 TSHR (0.39) NAAADGKAALDH1A1HCAR2MAPT
SCHEMBL8819259 0.84 NAAA (0.60) NAAADGKAHCAR2MAPTMAPK1

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
EP-3864972-B1 METHOD FOR PRODUCING TOBACCO FLAVOR LIQUID, TOBACCO FLAVOR LIQUID, METHOD FOR PRODUCING ESTER COMPOUND, AND SMOKING ARTICLE JAPAN TOBACCO INC (JP) 2026-02-18 EP disclosed
EP-3864972-A1 METHOD FOR PRODUCING TOBACCO FLAVOR LIQUID, TOBACCO FLAVOR LIQUID, METHOD FOR PRODUCING ESTER COMPOUND, AND SMOKING ARTICLE Japan Tobacco Inc. (JP) 2021-08-18 EP disclosed
US-20210219596-A1 METHOD FOR PRODUCING TOBACCO FLAVOR LIQUID, TOBACCO FLAVOR LIQUID, METHOD FOR PRODUCING ESTER COMPOUND, AND SMOKING ARTICLE JAPAN TOBACCO INC. (JP) 2021-07-22 US disclosed
US-8324273-B2 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
EP-2348833-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-08-03 EP disclosed
WO-2010040834-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. 2008-07-17 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-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT ELANE 1079/4885NAAA 557/4885DGKA 1421/4885

“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.