SCHEMBL4640978

SCHEMBL4640978

CCCCC(CCC(C)C)OC(=O)c1cccc(CC)c1C(=O)OC(CCCC)CCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 2/20 0.39
CA2 P00918 2/20 0.39
PRKCA P17252 2/20 0.37
PRKCD Q05655 2/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL4640981 0.93 ALDH1A1 (0.45) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL4640002 0.88 KMT2A (0.38) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL4640130 0.88 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL4640540 0.86 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL4640474 0.86 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL4640015 0.86 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL4641122 0.86 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL233629 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL4640132 0.83 ALDH1A1 (0.45) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL4640476 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2PRKCAPRKCD

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 ALDH1A1 725/4885CYP3A4 424/4885CA2 2590/4885

“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.