SCHEMBL4642987

SCHEMBL4642987

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PPARA Q07869 3/20 0.39
CTSK P43235 4/20 0.39
SLC37A4 O43826 1/20 0.39
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
KAT8 Q9H7Z6 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
PPARG P37231 2/20 0.39
EP300 Q09472 2/20 0.39
KAT5 Q92993 2/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
CA2 P00918 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4642985 0.93 ALDH1A1 (0.40) ALDH1A1CTSKCA2CYP3A4KMT2A
SCHEMBL4643286 0.88 ALDH1A1 (0.43) ALDH1A1PPARACTSKSLC37A4PPARG
SCHEMBL4640138 0.87 KMT2A (0.37) ALDH1A1PPARABIDMCL1KAT8
SCHEMBL4640701 0.87 ALDH1A1 (0.43) ALDH1A1CTSKSLC37A4CA2CYP3A4
SCHEMBL4639999 0.87 ALDH1A1 (0.43) ALDH1A1PPARACTSKSLC37A4CA2
SCHEMBL4641251 0.87 PTPN1 (0.44) ALDH1A1CTSKSLC37A4CA2CYP3A4
SCHEMBL4643283 0.82 ALDH1A1 (0.40) ALDH1A1PPARACTSKPPARGCA2
SCHEMBL6346369 0.82 CLCN2 (0.38) ALDH1A1PPARABIDMCL1KAT8
SCHEMBL4641250 0.81 ALDH1A1 (0.39) ALDH1A1CTSKCA2CYP3A4KMT2A
SCHEMBL4639996 0.81 ALDH1A1 (0.39) ALDH1A1CTSKCA2CYP3A4KDM4E

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 725/4885PPARA 174/4885CTSK 3891/4885

“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.