SCHEMBL4628628

SCHEMBL4628628

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ADORA3 P0DMS8 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
PRNP P04156 1/20 0.34
KMT2A Q03164 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
SCHEMBL4625674 0.88 KDM4E (0.38) KDM4ENPSR1RXFP1TSHRALDH1A1
SCHEMBL4628433 0.88 ESR1 (0.43) TSHRALDH1A1MAPK1HSD17B10LMNA
SCHEMBL4628680 0.87 TSHR (0.38) KDM4EADORA3TSHRALDH1A1SMN1; SMN2
SCHEMBL4626624 0.86 MAOB (0.39) KDM4ENPSR1RXFP1TSHRALDH1A1
SCHEMBL4626753 0.85 CYP4F2 (0.39) ADORA3TSHRALDH1A1MAPK1GAA
SCHEMBL4626485 0.85 PDE3B (0.39) KDM4ETSHRALDH1A1SMN1; SMN2MAPK1
SCHEMBL4627235 0.83 TSHR (0.37) KDM4ETSHRALDH1A1SMN1; SMN2MAPK1
SCHEMBL4625610 0.83 MAPK1 (0.39) KDM4ENPSR1RXFP1ADORA3TSHR
SCHEMBL6912282 0.82 ALDH1A1 (0.38) KDM4ENPSR1RXFP1ADORA3TSHR
SCHEMBL4627306 0.82 TSHR (0.41) KDM4ENPSR1RXFP1TSHRALDH1A1

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 KDM4E 4127/4885NPSR1 2864/4885RXFP1 4848/4885

“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.