SCHEMBL4642973

SCHEMBL4642973

CCC(CCC(C)C)OC(=O)c1ccc(F)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KEAP1 Q14145 1/20 0.38
MCL1 Q07820 1/20 0.37
PRKCA P17252 2/20 0.36
PRKCD Q05655 2/20 0.36
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
CLCN2 P51788 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 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
SCHEMBL4642972 0.93 PRKCA (0.39) ALDH1A1PRKCAPRKCDKDM4EHPGD
SCHEMBL4640962 0.90 PRKCA (0.47) ALDH1A1KEAP1PRKCAPRKCDKDM4E
SCHEMBL4640737 0.89 ALDH1A1 (0.45) ALDH1A1KEAP1MCL1PRKCAPRKCD
SCHEMBL4641155 0.86 ALDH1A1 (0.40) ALDH1A1PRKCAPRKCDSCN1ASCN2A
SCHEMBL4641296 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4640559 0.85 ALDH1A1 (0.40) ALDH1A1PRKCAPRKCDKDM4EHSD17B10
SCHEMBL4639964 0.85 ALDH1A1 (0.40) ALDH1A1MCL1PRKCAPRKCDKDM4E
SCHEMBL4640008 0.82 TDP1 (0.42) ALDH1A1PRKCAPRKCDSCN1ASCN2A
SCHEMBL4640959 0.82 PRKCA (0.50) ALDH1A1PRKCAPRKCDKDM4EHPGD
SCHEMBL4640735 0.82 ALDH1A1 (0.41) ALDH1A1PRKCAPRKCDKDM4EHPGD

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 725/4885KEAP1 468/4885MCL1 3732/4885

“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.