SCHEMBL4625679

SCHEMBL4625679

Cc1cc(C(=O)OCC(C)C)c(C(=O)OCC(C)C)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TSHR P16473 2/20 0.54
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR35 Q9HC97 1/20 0.44
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL4625661 0.95 ALDH1A1 (0.50) ALDH1A1TSHRTDP1L3MBTL1GPR35
SCHEMBL4627319 0.95 ALDH1A1 (0.50) ALDH1A1TSHRTDP1L3MBTL1GPR35
SCHEMBL4627854 0.90 ALDH1A1 (0.61) ALDH1A1TSHRTDP1L3MBTL1GPR35
SCHEMBL4628676 0.89 ESR1 (0.48) ALDH1A1TSHRTDP1L3MBTL1GPR35
SCHEMBL6909452 0.89 ESR1 (0.48) ALDH1A1TSHRTDP1L3MBTL1GPR35
SCHEMBL4627198 0.88 TSHR (0.63) ALDH1A1TSHRTDP1L3MBTL1GPR35
SCHEMBL4625774 0.87 ALDH1A1 (0.54) ALDH1A1TSHRTDP1L3MBTL1GPR35
SCHEMBL4627645 0.83 ALDH1A1 (0.58) ALDH1A1TSHRTDP1L3MBTL1GPR35
SCHEMBL4625705 0.82 CYP4F2 (0.53) ALDH1A1TSHRL3MBTL1KDM4EMAPT
SCHEMBL4626954 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTDP1L3MBTL1GPR35

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 ALDH1A1 725/4885TSHR 4817/4885TDP1 2416/4885

“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.