SCHEMBL4643832

SCHEMBL4643832

CCCC(C)(C)OC(=O)c1cccc(CC)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.38
PPARA Q07869 3/20 0.37
BID P55957 4/20 0.37
MCL1 Q07820 4/20 0.37
KAT8 Q9H7Z6 3/20 0.37
BCL2L1 Q07817 3/20 0.37
BAK1 Q16611 3/20 0.37
PPARG P37231 2/20 0.37
EP300 Q09472 2/20 0.37
KAT5 Q92993 2/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 1/20 0.34
FOLH1 Q04609 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL4643830 0.92 GABRA1 (0.38) CLCN2GABRA1GABRB2ALDH1A1
SCHEMBL4642764 0.87 HPGD (0.39) ALDH1A1
SCHEMBL27963569 0.85 CLCN2 (0.41) CLCN2PPARABIDMCL1KAT8
SCHEMBL4640471 0.85 PRNP (0.35) PPARAALDH1A1
SCHEMBL4639853 0.85 ALDH1A1 (0.33) PPARABIDMCL1BCL2L1BAK1
SCHEMBL7194622 0.85 PTPN1 (0.43) ALDH1A1
SCHEMBL4640133 0.85 PBRM1 (0.40) ALDH1A1
Ethane SCHEMBL4643835 0.84 CLCN2 (0.40) CLCN2PPARABIDMCL1KAT8
SCHEMBL28203253 0.82 CLCN2 (0.38) CLCN2PPARABIDMCL1KAT8
SCHEMBL4642762 0.81 TSHR (0.39) ALDH1A1

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 CLCN2 4314/4885PPARA 174/4885BID 2813/4885

“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.