SCHEMBL4640559

SCHEMBL4640559

CCC(CCC(C)C)OC(=O)c1ccc(I)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
PRKCA P17252 2/20 0.36
PRKCD Q05655 2/20 0.36
PTPRC P08575 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPRA P18433 1/20 0.34
PTPRB P23467 1/20 0.34
PTPRE P23469 1/20 0.34
PTPN6 P29350 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 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
SCHEMBL4640558 0.93 PRKCA (0.39) ALDH1A1PRKCAPRKCDSCN1ASCN2A
SCHEMBL4640705 0.90 PRKCA (0.47) ALDH1A1PRKCAPRKCDPTPRCPTPN2
SCHEMBL4640453 0.89 ALDH1A1 (0.45) ALDH1A1PRKCAPRKCDPTPRCPTPN2
SCHEMBL4641155 0.86 ALDH1A1 (0.40) ALDH1A1PRKCAPRKCDSCN1ASCN2A
SCHEMBL4642973 0.85 ALDH1A1 (0.40) ALDH1A1PRKCAPRKCDSCN1ASCN2A
SCHEMBL4639964 0.85 ALDH1A1 (0.40) ALDH1A1PRKCAPRKCDKDM4ERAB9A
SCHEMBL4641296 0.85 ALDH1A1 (0.45) ALDH1A1KDM4ERAB9AHSD17B10CA1
SCHEMBL4640008 0.82 TDP1 (0.42) ALDH1A1PRKCAPRKCDSCN1ASCN2A
SCHEMBL4640700 0.82 PRKCA (0.50) ALDH1A1PRKCAPRKCDCA12CA1
SCHEMBL4640451 0.82 TSHR (0.41) ALDH1A1PRKCAPRKCDCA12CA1

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 725/4885PRKCA 1200/4885PRKCD 552/4885

“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.