SCHEMBL4643142

SCHEMBL4643142

CCCCC(CCC(C)C)OC(=O)c1cc(CC)c(CC)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
PRKCA P17252 2/20 0.41
PRKCD Q05655 2/20 0.41
PPARG P37231 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 4/20 0.32
CA2 P00918 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 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
SCHEMBL4639881 0.93 ALDH1A1 (0.40) ALDH1A1PRKCAPRKCDPPARGTSHR
SCHEMBL4640041 0.92 ALDH1A1 (0.39) ALDH1A1PRKCAPRKCDPPARGTSHR
SCHEMBL4641171 0.92 ALDH1A1 (0.39) ALDH1A1PRKCAPRKCDPPARGTSHR
SCHEMBL4639926 0.92 ALDH1A1 (0.39) ALDH1A1PRKCAPRKCDPPARGTSHR
SCHEMBL4639867 0.88 ALDH1A1 (0.42) ALDH1A1PRKCAPRKCDPPARGTSHR
SCHEMBL4641112 0.88 ALDH1A1 (0.42) ALDH1A1PRKCAPRKCDPPARGTSHR
SCHEMBL4641009 0.88 PRKCA (0.40) ALDH1A1PRKCAPRKCDMAPK1KDM4E
SCHEMBL4639878 0.87 PRKCA (0.41) ALDH1A1PRKCAPRKCDPPARGTSHR
SCHEMBL4640711 0.86 ALDH1A1 (0.46) ALDH1A1PRKCAPRKCDPPARGTSHR
SCHEMBL4641166 0.86 PRKCA (0.40) ALDH1A1PRKCAPRKCDPPARGTSHR

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.