SCHEMBL3481452

SCHEMBL3481452

CC(=O)OCC(C)(C)C([O])=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34

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
SCHEMBL6128464 0.82 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL247442 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL28016011 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL1267156 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CHRM5CHRM1
Hydrochloric Acid SCHEMBL9126771 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL4134551 0.78 PRKCA (0.39) GAA
SCHEMBL11757494 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL2607865 0.76 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL11216426 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3199088 0.76 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1365652-B1 FUNGICIDAL MIXTURES FROM BENZOPHENONES AND N-BIPHENYL NICOTINAMIDES BASF SE (DE) 2009-11-25 EP claimed
US-11267797-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2022-03-08 US disclosed
US-20200317630-A1 ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2020-10-08 US disclosed
US-10689355-B2 Anticancer agent Kyoto Pharmaceuticals Industries, Ltd. (JP) 2020-06-23 US disclosed
EP-3153508-B1 NAPHTHOFURAN DERIVATIVES FOR USE AS ANTICANCER AGENTS KYOTO PHARMA IND (JP) 2020-03-18 EP disclosed
US-20190322636-A1 NOVEL ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2019-10-24 US disclosed
US-10377730-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2019-08-13 US disclosed
US-20180265489-A1 NOVEL ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-09-20 US disclosed
US-10005752-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-06-26 US disclosed
US-20170121299-A1 NOVEL ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2017-05-04 US disclosed
EP-3153508-A1 NOVEL ANTICANCER AGENT Kyoto Pharmaceutical Industries, Ltd. (JP) 2017-04-12 EP disclosed
US-7740995-B2 Azo compound, colored curable composition, color filter and manufacturing method therefor FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
US-20070037076-A1 Pyrimidine azo dye, curable tri- or higher-functional (meth)acrylic ester monomers, alkali-soluble (meth)acrylic resin binder, photoinitiators ( traizines, benzophenones, lophine dimer etc.); curing, developing; for forming a color filter for use in a liquid crystal display FUJI PHOTO FILM CO., LTD. 2007-02-15 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 (8 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-20170121299-A1 NOVEL ANTICANCER AGENT NTPCR, TP53, NME1 ALDH1A1 187/4885LMNA 2021/4885HSD17B10 1238/4885
US-20200317630-A1 ANTICANCER AGENT TP53, NTPCR, NQO1 ALDH1A1 160/4885LMNA 1792/4885HSD17B10 1095/4885
US-10005752-B2 Anticancer agent TP53, NTPCR, NQO1 ALDH1A1 160/4885LMNA 1792/4885HSD17B10 1095/4885
US-11267797-B2 Anticancer agent TP53, NTPCR, NQO1 ALDH1A1 160/4885LMNA 1792/4885HSD17B10 1095/4885
US-20180265489-A1 NOVEL ANTICANCER AGENT NTPCR, TP53, NME1 ALDH1A1 187/4885LMNA 2021/4885HSD17B10 1238/4885
US-20190322636-A1 NOVEL ANTICANCER AGENT NTPCR, TP53, NME1 ALDH1A1 187/4885LMNA 2021/4885HSD17B10 1238/4885
US-10689355-B2 Anticancer agent TP53, NTPCR, NQO1 ALDH1A1 160/4885LMNA 1792/4885HSD17B10 1095/4885
US-10377730-B2 Anticancer agent TP53, NTPCR, NQO1 ALDH1A1 160/4885LMNA 1792/4885HSD17B10 1095/4885

“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.