SCHEMBL4640441

SCHEMBL4640441

CCC(OC(=O)c1cccc(I)c1C(=O)OC(CC)C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 6/20 0.35
TSHR P16473 3/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
PDK2 Q15119 1/20 0.32
KMT2A Q03164 3/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL4640442 0.92 ALDH1A1 (0.39) CA2CA12CA1CA7CA9
SCHEMBL4643070 0.84 CA12 (0.39) CA2CA12CA1CA7CA9
SCHEMBL4643146 0.84 CA2 (0.39) CA2CA12CA1CA7CA9
SCHEMBL4639884 0.83 TAS1R3 (0.40) CA2CA12CA1CA7CA9
SCHEMBL4640072 0.83 TSHR (0.38) CA2CA12CA1CA7CA9
SCHEMBL4640005 0.83 KMT2A (0.40) CA2CA12CA1CA7CA9
SCHEMBL236243 0.81 ALDH1A1 (0.50) CA2NPC1ALDH1A1TSHRSCN1A
SCHEMBL4641172 0.81 CA2 (0.36) CA2CA12CA1CA7CA9
SCHEMBL4640704 0.80 SCN1A (0.36) CA2CA12CA1CA7CA9
SCHEMBL4639931 0.79 ALDH1A1 (0.46) CA2ALDH1A1TSHRKMT2AKDM4E

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 CA2 2590/4885CA12 2609/4885CA1 3188/4885

“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.