SCHEMBL4642985

SCHEMBL4642985

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.39
CA2 P00918 1/20 0.39
CTSK P43235 4/20 0.38
LMNA P02545 2/20 0.36
TSHR P16473 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 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
SCHEMBL4642987 0.93 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2CTSKKMT2A
SCHEMBL4643283 0.87 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2CTSKLMNA
SCHEMBL4639996 0.86 ALDH1A1 (0.39) ALDH1A1CYP3A4CA2CTSKLMNA
SCHEMBL4641250 0.86 ALDH1A1 (0.39) ALDH1A1CYP3A4CA2CTSKLMNA
SCHEMBL4640694 0.86 ALDH1A1 (0.39) ALDH1A1CYP3A4CA2CTSKLMNA
SCHEMBL4643286 0.82 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2CTSKLMNA
SCHEMBL4639999 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2CTSKLMNA
SCHEMBL4641251 0.81 PTPN1 (0.44) ALDH1A1CYP3A4CA2CTSKLMNA
SCHEMBL4640701 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2CTSKLMNA
SCHEMBL4640233 0.81 ALDH1A1 (0.37) ALDH1A1CYP3A4CA2CTSKLMNA

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.