SCHEMBL4640708

SCHEMBL4640708

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
ADRA1A P35348 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRKCA P17252 3/20 0.33
PRKCD Q05655 3/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL4640704 0.92 SCN1A (0.36) ALDH1A1SCN1ASCN2ASCN3AADRA1A
SCHEMBL4643569 0.90 PRKCA (0.43) ALDH1A1ADRA1AKDM4EPRKCAPRKCD
SCHEMBL4640476 0.89 ALDH1A1 (0.44) ALDH1A1SCN1ASCN2ASCN3AKDM4E
SCHEMBL4640003 0.86 ALDH1A1 (0.40) ALDH1A1SCN1ASCN2ASCN3AADRA1A
SCHEMBL4640224 0.86 ALDH1A1 (0.40) ALDH1A1SCN1ASCN2ASCN3AADRA1A
SCHEMBL7194460 0.85 ALDH1A1 (0.39) ALDH1A1SCN1ASCN2ASCN3AADRA1A
SCHEMBL4641205 0.85 ALDH1A1 (0.39) ALDH1A1SCN1ASCN2ASCN3AADRA1A
SCHEMBL4642715 0.83 ALDH1A1 (0.38) ALDH1A1SCN1ASCN2ASCN3AADRA1A
SCHEMBL4640474 0.81 ALDH1A1 (0.41) ALDH1A1SCN1ASCN2ASCN3AHSD17B10
SCHEMBL4640002 0.81 KMT2A (0.38) ALDH1A1SCN1ASCN2ASCN3AADRA1A

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 725/4885SCN1A 4017/4885SCN2A 4234/4885

“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.