SCHEMBL4640004

SCHEMBL4640004

CCC(CCC(C)C)OC(=O)c1ccc(C(C)(C)C)cc1C(=O)OC(CC)CCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PRKCA P17252 2/20 0.37
PRKCD Q05655 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
ATM Q13315 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALPL P05186 1/20 0.32

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
SCHEMBL4640008 0.94 TDP1 (0.42) HSP90AA1HSP90AB1PRKCAPRKCDTDP1
SCHEMBL4640961 0.89 ALDH1A1 (0.39) HSP90AA1HSP90AB1PRKCAPRKCDTDP1
SCHEMBL4640967 0.83 ALDH1A1 (0.44) HSP90AA1HSP90AB1PRKCAPRKCDTDP1
SCHEMBL4640740 0.83 PRKCA (0.45) HSP90AA1HSP90AB1PRKCAPRKCDTDP1
SCHEMBL4641153 0.82 PRKCA (0.43) PRKCAPRKCDTDP1ALDH1A1TSHR
SCHEMBL4641294 0.81 HPGD (0.43) PRKCAPRKCDALDH1A1
SCHEMBL4642972 0.81 PRKCA (0.39) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4640558 0.81 PRKCA (0.39) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4641007 0.79 PRKCA (0.43) PRKCAPRKCDKMT2AALDH1A1TSHR
SCHEMBL4639861 0.79 PRKCA (0.43) PRKCAPRKCDTDP1KMT2AALDH1A1

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 4 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
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-20030036594-A1 Phthalic diester derivatives and electron donors TOHO TITANIUM CO., LTD. (JP) 2003-02-20 US 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 HSP90AA1 1234/4885HSP90AB1 1400/4885PRKCA 1200/4885

“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.