SCHEMBL4640111

SCHEMBL4640111

CCCCC(OC(=O)c1ccc(C)cc1C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
PLK1 P53350 12/20 0.38
CSNK2A1 P68400 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CTSK P43235 2/20 0.37
PLK3 Q9H4B4 2/20 0.37
TRPM2 O94759 1/20 0.36
CA2 P00918 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4640109 0.94 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1CTSKCA2
SCHEMBL4640014 0.88 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1CTSKCA2
SCHEMBL4641266 0.87 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1CTSKCA2
SCHEMBL4641293 0.87 CSNK2A1 (0.41) ALDH1A1PLK1CSNK2A1CA2
SCHEMBL4640730 0.86 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1CTSKCA2
SCHEMBL4640464 0.86 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1CTSKCA2
SCHEMBL4641193 0.86 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1CTSKCA2
SCHEMBL4640866 0.86 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1CTSKCA2
SCHEMBL4644335 0.84 ALDH1A1 (0.48) ALDH1A1PLK1CSNK2A1TSHRMAPK1
SCHEMBL4640235 0.83 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1CTSKCA2

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 725/4885PLK1 3720/4885CSNK2A1 3362/4885

“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.