SCHEMBL4643402

SCHEMBL4643402

CCCC(CC)OC(=O)c1cc(Br)c(Cl)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.45
PRKCD Q05655 2/20 0.45
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
LCK P06239 1/20 0.31
FYN P06241 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
SCHEMBL4643399 0.95 PRKCA (0.49) PRKCAPRKCDALDH1A1MEN1KMT2A
SCHEMBL4641116 0.91 PRKCA (0.50) PRKCAPRKCDTSHRHSD17B10ALDH1A1
SCHEMBL4641148 0.91 PRKCA (0.50) PRKCAPRKCDTSHRALDH1A1MEN1
SCHEMBL4639956 0.90 PRKCA (0.35) PRKCAPRKCDTSHRHSD17B10ALDH1A1
SCHEMBL4626604 0.86 PRKCA (0.46) PRKCAPRKCDTSHRHSD17B10ALDH1A1
SCHEMBL4627585 0.86 PRKCA (0.46) PRKCAPRKCDALDH1A1MEN1KMT2A
SCHEMBL4627211 0.86 PRKCA (0.46) PRKCAPRKCDTSHRHSD17B10ALDH1A1
SCHEMBL4627869 0.86 PRKCA (0.46) PRKCAPRKCDTSHRHSD17B10ALDH1A1
SCHEMBL4627325 0.86 PRKCA (0.46) PRKCAPRKCDALDH1A1MEN1KMT2A
SCHEMBL4627331 0.86 PRKCA (0.46) PRKCAPRKCDALDH1A1MEN1KMT2A

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 PRKCA 1200/4885PRKCD 552/4885TSHR 4817/4885

“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.