SCHEMBL4626565

SCHEMBL4626565

CCOC(=O)c1cc(Br)c(Cl)c(CC(C)C)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
TSHR P16473 3/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 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
SCHEMBL4625820 0.88 ESR1 (0.42) ALDH1A1MAPK1TSHRMEN1KMT2A
SCHEMBL4625662 0.87 ALDH1A1 (0.39) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL4627280 0.87 ALDH1A1 (0.39) MAOBCA1CA2CA12CA9
SCHEMBL4628281 0.87 ALOX15 (0.37) MAOBCYP4F2CYP4A11CA1CA2
SCHEMBL6912282 0.86 ALDH1A1 (0.38) MAOBCA1CA2CA12CA9
SCHEMBL4625617 0.86 ALDH1A1 (0.40) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL4626580 0.84 MAOB (0.39) MAOBCYP4F2CYP4A11CA1CA2
SCHEMBL4626624 0.82 MAOB (0.39) MAOBCYP4F2CYP4A11CA1CA2
SCHEMBL4625961 0.82 ALDH1A1 (0.39) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL4627322 0.82 CYP4F2 (0.40) CYP4F2CYP4A11CA1CA2CA12

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 MAOB 1193/4885CYP4F2 220/4885CYP4A11 259/4885

“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.