SCHEMBL4641091

SCHEMBL4641091

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CISD1 Q9NZ45 7/20 0.32
TAAR1 Q96RJ0 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
AKR1C2 P52895 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
SCHEMBL4643221 1.00 ALDH1A1 (0.39) ALDH1A1PRKCAPRKCDMEN1KMT2A
SCHEMBL4641088 0.95 PRKCA (0.40) ALDH1A1PRKCAPRKCDNPC1CYP1A2
SCHEMBL4641112 0.93 ALDH1A1 (0.42) ALDH1A1PRKCAPRKCDMEN1KMT2A
SCHEMBL4641361 0.89 PRKCA (0.36) ALDH1A1PRKCAPRKCDMEN1KMT2A
SCHEMBL4639968 0.89 PRKCA (0.36) ALDH1A1PRKCAPRKCDMEN1KMT2A
SCHEMBL4641171 0.88 ALDH1A1 (0.39) ALDH1A1PRKCAPRKCDMEN1KMT2A
SCHEMBL4641111 0.88 PRKCA (0.44) ALDH1A1PRKCAPRKCDMEN1KMT2A
SCHEMBL4641069 0.87 ALDH1A1 (0.39) ALDH1A1PRKCAPRKCDMEN1KMT2A
SCHEMBL4639881 0.87 ALDH1A1 (0.40) ALDH1A1PRKCAPRKCDMEN1KMT2A
SCHEMBL4641097 0.86 ALDH1A1 (0.39) ALDH1A1PRKCAPRKCDMEN1KMT2A

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.