SCHEMBL4644335

SCHEMBL4644335

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
PLK1 P53350 11/20 0.39
CSNK2A1 P68400 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
PLK3 Q9H4B4 2/20 0.37
TRPM2 O94759 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSH P09668 1/20 0.37
CTSK P43235 1/20 0.37
CA2 P00918 1/20 0.36
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 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
SCHEMBL4644332 0.93 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1CTSLCTSB
SCHEMBL4640665 0.87 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1CTSLCTSB
SCHEMBL4641137 0.87 CSNK2A1 (0.42) ALDH1A1CSNK2A1CA2KDM4EMAPT
SCHEMBL4639920 0.86 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1CTSLCTSB
SCHEMBL4639860 0.86 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1CTSLCTSB
SCHEMBL4640853 0.86 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1CTSLCTSB
SCHEMBL4639941 0.85 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1CTSLCTSB
SCHEMBL4640245 0.84 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1CTSLCTSB
SCHEMBL27175602 0.84 ALDH1A1 (0.67) ALDH1A1TSHRMAPK1CTSLCTSB
SCHEMBL4640111 0.84 ALDH1A1 (0.44) ALDH1A1PLK1CSNK2A1TSHRMAPK1

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.