SCHEMBL4640629

SCHEMBL4640629

CCCC(CC)OC(=O)c1cccc(Cl)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.43
PRKCD Q05655 2/20 0.43
ALDH1A1 P00352 4/20 0.40
PBRM1 Q86U86 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
TSHR P16473 1/20 0.37
USP2 O75604 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PLK1 P53350 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4640625 0.92 PRKCA (0.45) PRKCAPRKCDALDH1A1TAS1R3TAS1R1
SCHEMBL4641100 0.85 PRKCA (0.44) PRKCAPRKCDALDH1A1UTS2RTSHR
SCHEMBL4640755 0.85 PRKCA (0.44) PRKCAPRKCDALDH1A1UTS2R
SCHEMBL4643569 0.84 PRKCA (0.43) PRKCAPRKCDALDH1A1TAS1R3TAS1R1
SCHEMBL4640777 0.84 PRKCA (0.43) PRKCAPRKCDALDH1A1TSHRPOLB
SCHEMBL4640692 0.84 PRKCA (0.43) PRKCAPRKCDALDH1A1TAS1R3TAS1R1
SCHEMBL4641314 0.82 PRKCA (0.41) PRKCAPRKCDALDH1A1POLB
SCHEMBL4641125 0.82 ALDH1A1 (0.44) PRKCAPRKCDALDH1A1PBRM1UTS2R
SCHEMBL234034 0.80 ALDH1A1 (0.59) PRKCAPRKCDALDH1A1TSHRPOLB
SCHEMBL4639886 0.80 PBRM1 (0.40) ALDH1A1PBRM1TAS1R3TAS1R1TAS1R2

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.