SCHEMBL4640063

SCHEMBL4640063

CCCC(C)(C)OC(=O)c1ccc(Cl)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
SERPINE1 P05121 1/20 0.39
MYC P01106 2/20 0.38
KCNK2 O95069 1/20 0.38
NR4A1 P22736 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4640854 0.91 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4640064 0.84 CSNK2A1 (0.42) KMT2AMEN1SMN1; SMN2TSHRTDP1
SCHEMBL7191047 0.84 METAP2 (0.39) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4640039 0.84 MEN1 (0.41) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4640852 0.83 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL4640225 0.83 KEAP1 (0.41) KMT2ATSHR
SCHEMBL4639901 0.83 POLB (0.42) ALDH1A1KDM4ESMN1; SMN2POLBMYC
SCHEMBL4641156 0.83 PTPRC (0.36) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27755305 0.82 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL17690443 0.81 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1KDM4ETSHR

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 3562/4885ALDH1A1 725/4885

“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.