SCHEMBL4628447

SCHEMBL4628447

CC(C)CCCOC(=O)c1cccc(Br)c1C(=O)OCCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 6/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HTT P42858 1/20 0.37
CA2 P00918 1/20 0.36

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
SCHEMBL4628312 0.95 TSHR (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4626745 0.95 TSHR (0.45) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4625759 0.95 ALDH1A1 (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4627810 0.84 TSHR (0.46) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4628803 0.84 TSHR (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL7052330 0.84 ALDH1A1 (0.54) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29444062 0.84 ALDH1A1 (0.54) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4628037 0.84 TSHR (0.66) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6579666 0.84 ALDH1A1 (0.54) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6577518 0.84 ALDH1A1 (0.54) TSHRTDP1L3MBTL1CYP3A4MAPK1

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 TSHR 4817/4885TDP1 2416/4885L3MBTL1 4720/4885

“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.