SCHEMBL4644162

SCHEMBL4644162

CCCC(CC)OC(=O)c1cc(C)c(C)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.51
PRKCD Q05655 2/20 0.51
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
GRM1 Q13255 1/20 0.32
HMGB1 P09429 1/20 0.32
CXCL12 P48061 1/20 0.32
CTSK P43235 2/20 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
SCHEMBL4644160 0.94 PRKCA (0.56) PRKCAPRKCDALDH1A1SMN1; SMN2TAS1R3
SCHEMBL18628681 0.92 PRKCA (0.55) PRKCAPRKCDALDH1A1PPARGPPARA
SCHEMBL4640934 0.92 PRKCA (0.47) PRKCAPRKCDALDH1A1UTS2RPPARG
SCHEMBL4643120 0.92 PRKCA (0.47) PRKCAPRKCDALDH1A1UTS2RPPARG
SCHEMBL4626604 0.90 PRKCA (0.46) PRKCAPRKCDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4627585 0.90 PRKCA (0.46) PRKCAPRKCDALDH1A1UTS2RKDM4E
SCHEMBL4627360 0.90 PRKCA (0.46) PRKCAPRKCDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4642758 0.90 PRKCA (0.46) PRKCAPRKCDALDH1A1UTS2RKDM4E
SCHEMBL4639863 0.88 PRKCA (0.40) PRKCAPRKCDALDH1A1SMN1; SMN2UTS2R
SCHEMBL4640593 0.88 PRKCA (0.51) PRKCAPRKCDALDH1A1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188739-B1 PHTHALIC DIESTER DERIVATIVES AND ELECTRON DONORS TOHO TITANIUM CO LTD (JP) 2008-08-13 EP disclosed
US-6670497-B2 Dialkyl (at least one of which is a C4-8 tertiary alkyl) ester of an alkyl- or halo-substituted phthalic acid; used in an olefin polymerization catalyst TOHO TITANIUM CO., LTD. (JP) 2003-12-30 US disclosed
US-20030036594-A1 Phthalic diester derivatives and electron donors TOHO TITANIUM CO., LTD. (JP) 2003-02-20 US disclosed
EP-1188739-A1 PHTHALIC DIESTER DERIVATIVES AND ELECTRON DONORS TOHO TITANIUM CO., LTD. (JP) 2002-03-20 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-20030036594-A1 Phthalic diester derivatives and electron donors HPD, ETFA, PPOX PRKCA 1200/4885PRKCD 552/4885ALDH1A1 725/4885

“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.