SCHEMBL4641111

SCHEMBL4641111

CCCCC(CCC(C)C)OC(=O)c1cc(Cl)c(Cl)cc1C(=O)OC(CCCC)CCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.44
PRKCD Q05655 2/20 0.44
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
ESR1 P03372 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CTSK P43235 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4641112 0.95 ALDH1A1 (0.42) PRKCAPRKCDALDH1A1MAPK1TSHR
SCHEMBL4641166 0.92 PRKCA (0.40) PRKCAPRKCDALDH1A1MAPK1TSHR
SCHEMBL4641088 0.92 PRKCA (0.40) PRKCAPRKCDALDH1A1MAPK1TSHR
SCHEMBL4641067 0.91 PRKCA (0.40) PRKCAPRKCDALDH1A1MAPK1TSHR
SCHEMBL4641171 0.88 ALDH1A1 (0.39) PRKCAPRKCDALDH1A1MAPK1TSHR
SCHEMBL4641091 0.88 ALDH1A1 (0.39) PRKCAPRKCDALDH1A1MAPK1TSHR
SCHEMBL4643221 0.88 ALDH1A1 (0.39) PRKCAPRKCDALDH1A1MAPK1TSHR
SCHEMBL4642902 0.87 PRKCA (0.42) PRKCAPRKCDALDH1A1TSHRHPGD
SCHEMBL4641069 0.87 ALDH1A1 (0.39) PRKCAPRKCDALDH1A1MAPK1TSHR
SCHEMBL4641145 0.87 ALDH1A1 (0.41) PRKCAPRKCDALDH1A1MAPK1TSHR

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.