SCHEMBL4627602

SCHEMBL4627602

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
CA12 O43570 4/20 0.53
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA7 P43166 4/20 0.53
CA9 Q16790 4/20 0.53
CA14 Q9ULX7 4/20 0.53
GAA P10253 2/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 2/20 0.48
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL4628621 0.90 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL346578 0.88 TSHR (0.67) TSHRCA12CA1CA2CA7
SCHEMBL4627285 0.87 ALDH1A1 (0.56) TSHRCA12CA1CA2CA7
SCHEMBL4625817 0.87 TSHR (0.47) TSHRCA12CA1CA2CA7
SCHEMBL6905627 0.87 TSHR (0.59) TSHRMAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL4627024 0.87 TSHR (0.47) TSHRCA12CA1CA2CA7
SCHEMBL4626925 0.86 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL4626645 0.86 CYP4F2 (0.51) TSHRCA12CA1CA2CA7
SCHEMBL4625850 0.84 TSHR (0.61) TSHRCA12CA1CA2CA7
SCHEMBL4625749 0.83 TSHR (0.47) TSHRCA12CA1CA2CA7

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 4817/4885CA12 2609/4885CA1 3188/4885

“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.