SCHEMBL4641067

SCHEMBL4641067

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

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 0.34
THRB P10828 6/20 0.33
HPGD P15428 3/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
THRA P10827 4/20 0.33
MAPT P10636 1/20 0.32
ESR1 P03372 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL4641069 0.95 ALDH1A1 (0.39) PRKCAPRKCDALDH1A1THRBHPGD
SCHEMBL4639866 0.91 PRKCA (0.44) PRKCAPRKCDALDH1A1THRBHPGD
SCHEMBL4641111 0.91 PRKCA (0.44) PRKCAPRKCDALDH1A1THRBHPGD
SCHEMBL4639954 0.88 PRKCA (0.38) PRKCAPRKCDTHRBHPGDTHRA
SCHEMBL4640065 0.86 PRKCA (0.40) PRKCAPRKCDALDH1A1THRBHPGD
SCHEMBL4639867 0.86 ALDH1A1 (0.42) PRKCAPRKCDALDH1A1THRBALOX5
SCHEMBL4639923 0.86 PRKCA (0.40) PRKCAPRKCDALDH1A1THRBHPGD
SCHEMBL4641088 0.86 PRKCA (0.40) PRKCAPRKCDALDH1A1THRBHPGD
SCHEMBL4641112 0.86 ALDH1A1 (0.42) PRKCAPRKCDALDH1A1ALOX5PPARG
SCHEMBL4641166 0.86 PRKCA (0.40) PRKCAPRKCDALDH1A1THRBHPGD

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.