SCHEMBL4641009

SCHEMBL4641009

CCc1cc(C(=O)O)c(C(=O)OC(CC)CCC(C)C)cc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.40
PRKCD Q05655 2/20 0.40
ALDH1A1 P00352 4/20 0.37
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 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
SCHEMBL4641007 0.94 PRKCA (0.43) PRKCAPRKCDALDH1A1SCN1ASCN2A
SCHEMBL4640664 0.92 PRKCA (0.36) PRKCAPRKCDALDH1A1SCN1ASCN2A
SCHEMBL4640634 0.92 PRKCA (0.36) PRKCAPRKCDALDH1A1SCN1ASCN2A
SCHEMBL4640219 0.91 PRKCA (0.36) PRKCAPRKCDALDH1A1KDM4EKMT2A
SCHEMBL4640506 0.91 PRKCA (0.36) PRKCAPRKCDALDH1A1SCN1ASCN2A
SCHEMBL4640960 0.91 PRKCA (0.36) PRKCAPRKCDALDH1A1KDM4EKMT2A
SCHEMBL4639863 0.89 PRKCA (0.40) PRKCAPRKCDALDH1A1SCN1ASCN2A
SCHEMBL4640593 0.88 PRKCA (0.51) PRKCAPRKCDALDH1A1HSD17B10TP53
SCHEMBL4643142 0.88 ALDH1A1 (0.43) PRKCAPRKCDALDH1A1SCN1ASCN2A
SCHEMBL4642907 0.87 PRKCA (0.39) PRKCAPRKCDALDH1A1KDM4EKMT2A

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.