SCHEMBL4640532

SCHEMBL4640532

CCCCC(OC(=O)c1cccc(C(C)(C)C)c1C(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CTSK P43235 4/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
CYP3A4 P08684 2/20 0.36
CA2 P00918 1/20 0.36
SLC37A4 O43826 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 3/20 0.34
HSD17B10 Q99714 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
SCHEMBL4640530 0.93 ALDH1A1 (0.41) ALDH1A1CTSKCTSLCTSBCTSH
SCHEMBL4641174 0.88 ALDH1A1 (0.37) ALDH1A1CA2KDM4EMEN1KMT2A
SCHEMBL4640206 0.84 ALDH1A1 (0.47) ALDH1A1CTSKCTSLCTSBCTSH
SCHEMBL4642716 0.84 ALDH1A1 (0.43) ALDH1A1CTSKCYP3A4CA2SLC37A4
SCHEMBL4640061 0.83 ALDH1A1 (0.46) ALDH1A1CTSKCTSLCTSBCTSH
SCHEMBL4639931 0.83 ALDH1A1 (0.46) ALDH1A1CTSKCTSLCTSBCTSH
SCHEMBL4641172 0.80 CA2 (0.36) ALDH1A1CTSKCA2KDM4EGAA
SCHEMBL27175602 0.80 ALDH1A1 (0.67) ALDH1A1CTSKCTSLCTSBCTSH
SCHEMBL4641314 0.80 PRKCA (0.41) ALDH1A1CTSKCTSLCTSBCYP3A4
SCHEMBL4640060 0.78 ALDH1A1 (0.42) ALDH1A1CTSKCTSLCTSBCTSH

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 725/4885CTSK 3891/4885CTSL 4645/4885

“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.