SCHEMBL4640138

SCHEMBL4640138

CCc1cccc(C(=O)OC(CC)C(C)(C)C)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CLCN2 P51788 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PPARA Q07869 2/20 0.34
POLB P06746 1/20 0.34
KCNH2 Q12809 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
KAT8 Q9H7Z6 2/20 0.33
FOLH1 Q04609 1/20 0.33
PPARG P37231 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2A Q92830 1/20 0.33
KAT2B Q92831 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
SCHEMBL4642987 0.87 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1PPARABID
SCHEMBL6346369 0.86 CLCN2 (0.38) KMT2ACLCN2ALDH1A1GABRA1GABRB2
SCHEMBL4640026 0.85 MEN1 (0.36) KMT2AMEN1ALDH1A1POLBKCNH2
SCHEMBL4640516 0.85 PTPN1 (0.40) KMT2AMEN1ALDH1A1POLBKCNH2
SCHEMBL4640220 0.85 PBRM1 (0.39) KMT2AMEN1ALDH1A1POLBUTS2R
SCHEMBL4643148 0.82 ALDH1A1 (0.39) KMT2ACLCN2ALDH1A1PPARAPOLB
SCHEMBL15675541 0.81 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1POLBKCNH2
SCHEMBL15675540 0.81 TSHR (0.48) KMT2AMEN1ALDH1A1KCNH2
SCHEMBL4640512 0.80 KMT2A (0.40) KMT2AMEN1
SCHEMBL4640022 0.80 KMT2A (0.35) KMT2AMEN1ALDH1A1KCNH2

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 KMT2A 3313/4885MEN1 3562/4885CLCN2 4314/4885

“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.