SCHEMBL4640692

SCHEMBL4640692

CCCC(CC)OC(=O)c1cccc(F)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.43
PRKCD Q05655 2/20 0.43
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.38
ALB P02768 1/20 0.36
PLK1 P53350 2/20 0.36
POLB P06746 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL4640690 0.92 PRKCA (0.45) PRKCAPRKCDPTPN1ALDH1A1KMT2A
SCHEMBL7194460 0.90 ALDH1A1 (0.39) PRKCAPRKCDPTPN1ALDH1A1KMT2A
SCHEMBL4640755 0.85 PRKCA (0.44) PRKCAPRKCDALDH1A1KMT2ACA2
SCHEMBL4641100 0.85 PRKCA (0.44) PRKCAPRKCDALDH1A1KMT2ATDP1
SCHEMBL4640629 0.84 PRKCA (0.43) PRKCAPRKCDALDH1A1PLK1POLB
SCHEMBL4643569 0.84 PRKCA (0.43) PRKCAPRKCDALDH1A1KMT2APOLB
SCHEMBL4640777 0.84 PRKCA (0.43) PRKCAPRKCDALDH1A1KMT2APOLB
SCHEMBL4641314 0.82 PRKCA (0.41) PRKCAPRKCDALDH1A1KMT2APOLB
SCHEMBL4640543 0.82 ALDH1A1 (0.44) PRKCAPRKCDPTPN1ALDH1A1KMT2A
SCHEMBL7194458 0.82 KMT2A (0.38) PRKCAPRKCDALDH1A1KMT2APOLB

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 552/4885PTPN1 4435/4885

“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.