SCHEMBL4625643

SCHEMBL4625643

CCC(C)(C)Cc1ccc(C(=O)OCC(C)(C)C)c(C(=O)OCC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TSHR P16473 6/20 0.37
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 3/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
LMNA P02545 1/20 0.35
SERPINE1 P05121 1/20 0.35
CYP2D6 P10635 2/20 0.33
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33

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
SCHEMBL4627176 0.90 TSHR (0.39) ALDH1A1CYP4F2CYP4A11TSHRTDP1
SCHEMBL234767 0.86 TSHR (0.42) ALDH1A1CYP4F2CYP4A11TSHRTDP1
SCHEMBL4626651 0.82 EGFR (0.35) ALDH1A1CYP4F2CYP4A11TSHRTDP1
SCHEMBL6908939 0.82 TSHR (0.50) ALDH1A1CYP4F2CYP4A11TSHRL3MBTL1
SCHEMBL4628503 0.81 TSHR (0.55) ALDH1A1TSHRTDP1L3MBTL1MAPK1
SCHEMBL4627917 0.81 PPARA (0.51) ALDH1A1TSHRMAPK1CYP3A4TP53
SCHEMBL4627078 0.80 CRHBP (0.37) ALDH1A1CYP4F2CYP4A11TSHRMAPK1
SCHEMBL4627369 0.79 METAP2 (0.41) ALDH1A1CYP4F2CYP4A11TSHRCA2
SCHEMBL4627132 0.76 SERPINE1 (0.34) ALDH1A1CYP4F2CYP4A11TSHRCYP3A4
SCHEMBL4628066 0.76 SERPINE1 (0.34) SERPINE1GABRPGABRDGABRA1GABRB1

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 725/4885CYP4F2 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.