SCHEMBL4640852

SCHEMBL4640852

CCCCCC(C)(C)OC(=O)c1ccc(Cl)cc1C(=O)OC(C)(C)CCCCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.41
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
KCNK2 O95069 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX12 P18054 1/20 0.37

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 0.93 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2ASCN5ASCN9A
SCHEMBL4639979 0.85 ESR1 (0.38) ALDH1A1KDM4EKMT2ASCN5ASCN9A
SCHEMBL10751437 0.84 TSHR (0.47) ALDH1A1KDM4ECNR1CNR2TP53
SCHEMBL4640010 0.83 CNR2 (0.38) ALDH1A1CNR1CNR2TP53CYP3A4
SCHEMBL4640063 0.83 KMT2A (0.46) ALDH1A1KDM4EKMT2AKCNK2TP53
SCHEMBL4640160 0.83 HPGD (0.40) ALDH1A1CNR1CNR2TP53CYP3A4
SCHEMBL4643236 0.83 TSHR (0.38) ALDH1A1CNR1CNR2TP53CYP3A4
SCHEMBL1014226 0.82 TSHR (0.56) ALDH1A1KDM4EKMT2ATP53CYP3A4
SCHEMBL8904300 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2ATP53CYP3A4
SCHEMBL3313584 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2ATP53CYP3A4

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 4127/4885KMT2A 3313/4885

“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.