SCHEMBL4640701

SCHEMBL4640701

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SLC37A4 O43826 1/20 0.38
CTSK P43235 5/20 0.38
PLK1 P53350 1/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.36
PBRM1 Q86U86 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 3/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4640694 0.93 ALDH1A1 (0.39) ALDH1A1CTSKCA2CYP3A4HPGD
SCHEMBL4640220 0.88 PBRM1 (0.39) ALDH1A1PBRM1KDM4EMEN1KMT2A
SCHEMBL4643286 0.87 ALDH1A1 (0.43) ALDH1A1SLC37A4CTSKCA2CYP3A4
SCHEMBL4642987 0.87 ALDH1A1 (0.43) ALDH1A1SLC37A4CTSKCA2CYP3A4
SCHEMBL4641251 0.86 PTPN1 (0.44) ALDH1A1SLC37A4CTSKPLK1CA2
SCHEMBL4639999 0.86 ALDH1A1 (0.43) ALDH1A1SLC37A4CTSKCA2CYP3A4
SCHEMBL4640061 0.84 ALDH1A1 (0.46) ALDH1A1SLC37A4CTSKPLK1CA2
SCHEMBL4643283 0.81 ALDH1A1 (0.40) ALDH1A1CTSKCA2CYP3A4KDM4E
SCHEMBL4642985 0.81 ALDH1A1 (0.40) ALDH1A1CTSKCA2CYP3A4KDM4E
SCHEMBL4641250 0.81 ALDH1A1 (0.39) ALDH1A1CTSKCA2CYP3A4KMT2A

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 725/4885SLC37A4 1349/4885CTSK 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.