SCHEMBL4640706

SCHEMBL4640706

CCCCC(CCC(C)C)OC(=O)c1ccc(CC)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 3/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 3/20 0.41
CYP3A4 P08684 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRB2 P47870 1/20 0.37
CA2 P00918 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTSK P43235 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TP53 P04637 1/20 0.33
PRSS1 P07477 1/20 0.33

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
SCHEMBL4640711 0.94 ALDH1A1 (0.46) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4641153 0.88 PRKCA (0.43) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4641145 0.86 ALDH1A1 (0.41) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4640451 0.86 TSHR (0.41) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4640735 0.86 ALDH1A1 (0.41) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL233629 0.85 ALDH1A1 (0.55) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4640961 0.84 ALDH1A1 (0.39) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4641111 0.82 PRKCA (0.44) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4639866 0.82 PRKCA (0.44) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4639878 0.82 PRKCA (0.41) PRKCAPRKCDALDH1A1TSHRMAPK1

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.