SCHEMBL4643075

SCHEMBL4643075

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
MYC P01106 1/20 0.36
HTT P42858 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CA12 O43570 2/20 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
SCHEMBL4643070 0.92 CA12 (0.39) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL4640206 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL4643148 0.86 ALDH1A1 (0.39) ALDH1A1KMT2ATSHRSCN1ASCN2A
SCHEMBL4640074 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDKMT2ATSHR
SCHEMBL4640442 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDKMT2ATSHR
SCHEMBL4639886 0.85 PBRM1 (0.40) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL4640007 0.85 PTPN1 (0.41) ALDH1A1KMT2AHTTSCN1ASCN2A
SCHEMBL2957177 0.83 HPGD (0.40) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL4641174 0.83 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDKMT2ATDP1
SCHEMBL236244 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10KMT2A

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 725/4885KDM4E 4127/4885HPGD 9/4885

“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.