SCHEMBL4644178

SCHEMBL4644178

CCCCC(OC(=O)c1cc(C)c(Br)cc1C(=O)OC(CCCC)C(C)(C)C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
CTSK P43235 4/20 0.34
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
ESR1 P03372 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.33
GRM1 Q13255 1/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
UTS2R Q9UKP6 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
SCHEMBL4644185 0.95 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1CTSKPRKCA
SCHEMBL4641359 0.95 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1CTSKPRKCA
SCHEMBL4643103 0.92 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1CTSKPRKCA
SCHEMBL4641263 0.92 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1CTSKPRKCA
SCHEMBL4643107 0.87 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1CTSKPRKCA
SCHEMBL4640928 0.87 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1CTSKPRKCA
SCHEMBL4641266 0.86 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1CTSKPRKCA
SCHEMBL4641025 0.86 L3MBTL1 (0.36) ALDH1A1TSHRL3MBTL1NPSR1LMNA
SCHEMBL4640432 0.85 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1CTSKPRKCA
SCHEMBL4640612 0.84 UTS2R (0.36) ALDH1A1TSHRMAPK1CTSKPRKCA

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 725/4885TSHR 4817/4885MAPK1 921/4885

“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.