SCHEMBL4625616

SCHEMBL4625616

CCOC(=O)c1cc(CC)c(Cl)cc1C(=O)OCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GPR35 Q9HC97 1/20 0.46
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38

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
SCHEMBL4628309 1.00 TSHR (0.49) TSHRALDH1A1GPR35CYP4F2CYP4A11
SCHEMBL4626954 0.95 ALDH1A1 (0.53) TSHRALDH1A1GPR35CYP4F2CYP4A11
SCHEMBL4625774 0.91 ALDH1A1 (0.54) TSHRALDH1A1GPR35CYP4F2CYP4A11
SCHEMBL4627285 0.89 ALDH1A1 (0.56) TSHRALDH1A1GPR35CA1CA2
SCHEMBL4626645 0.89 CYP4F2 (0.51) TSHRALDH1A1CYP4F2CYP4A11BAZ2B
SCHEMBL4625661 0.87 ALDH1A1 (0.50) TSHRALDH1A1GPR35CYP4F2CYP4A11
SCHEMBL4627319 0.87 ALDH1A1 (0.50) TSHRALDH1A1GPR35CYP4F2CYP4A11
SCHEMBL4627374 0.86 ESR1 (0.48) TSHRALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL4640587 0.86 ESR1 (0.48) TSHRALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL4641058 0.85 ALDH1A1 (0.51) TSHRALDH1A1GPR35CA1CA2

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 4817/4885ALDH1A1 725/4885GPR35 2806/4885

“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.