SCHEMBL4625713

SCHEMBL4625713

CCc1cc(C(=O)OCCCC(C)C)c(C(=O)OCCCC(C)C)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRB2 P47870 1/20 0.38
TSHR P16473 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
EGFR P00533 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.34
XBP1 P17861 1/20 0.33
ATM Q13315 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
SCHEMBL4628317 0.95 TSHR (0.40) GABRA1GABRB1GABRA3GABRB2TSHR
SCHEMBL4625868 0.87 TSHR (0.45) GABRA1GABRB1GABRA3GABRB2TSHR
SCHEMBL4628009 0.86 TSHR (0.53) TSHRL3MBTL1TDP1TP53CYP3A4
SCHEMBL4627180 0.85 KMT2A (0.37) GABRA1GABRB1GABRA3GABRB2TSHR
SCHEMBL4626668 0.83 TSHR (0.53) TSHRL3MBTL1TDP1TP53CYP3A4
SCHEMBL6910174 0.83 TSHR (0.42) GABRA1GABRB1GABRA3GABRB2TSHR
SCHEMBL4627612 0.83 ALDH1A1 (0.50) TSHRL3MBTL1TDP1TP53CYP3A4
SCHEMBL4625778 0.82 TSHR (0.41) GABRA1GABRB1GABRA3GABRB2TSHR
SCHEMBL4628049 0.81 TSHR (0.47) GABRA1GABRB1GABRA3GABRB2TSHR
SCHEMBL20695623 0.81 KMT2A (0.47) GABRA1GABRB1GABRA3GABRB2TSHR

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 8 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
EP-1209172-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2008-07-02 EP disclosed
US-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US 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-20030130109-A1 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD (JP) 2003-07-10 US disclosed
US-20030036594-A1 Phthalic diester derivatives and electron donors TOHO TITANIUM CO., LTD. (JP) 2003-02-20 US disclosed
EP-1209172-A1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION Toho Titanium Co., Ltd. (JP) 2002-05-29 EP 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 GABRA1 1929/4885GABRB1 2288/4885GABRA3 2019/4885

“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.