SCHEMBL4639893

SCHEMBL4639893

Cc1cccc(C(=O)OC(C(C)(C)C)C(C)(C)C)c1C(=O)OC(C(C)(C)C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
UTS2R Q9UKP6 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MYC P01106 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 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
SCHEMBL4639896 0.91 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL29003949 0.81 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL6346365 0.81 GABRA1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL4639947 0.81 TSHR (0.46) CA1CA2CA9KDM4EALDH1A1
SCHEMBL4643283 0.78 ALDH1A1 (0.40) CA2KDM4EALDH1A1HSD17B10UTS2R
SCHEMBL4643070 0.77 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL2957175 0.76 GAA (0.40) CA12CA1CA2CA7CA9
SCHEMBL6346369 0.76 CLCN2 (0.38) KDM4EALDH1A1HPGDUTS2RALOX15
SCHEMBL5611240 0.75 TDP1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL4639950 0.75 ALDH1A1 (0.50) CA12CA1CA2CA7CA9

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 CA12 2609/4885CA1 3188/4885CA2 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.