SCHEMBL4640558

SCHEMBL4640558

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.39
PRKCD Q05655 2/20 0.39
ALDH1A1 P00352 5/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
ADRA1A P35348 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
DPP7 Q9UHL4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL4640559 0.93 ALDH1A1 (0.40) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4640700 0.89 PRKCA (0.50) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4640451 0.88 TSHR (0.41) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4641153 0.84 PRKCA (0.43) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4641294 0.83 HPGD (0.43) PRKCAPRKCDALDH1A1KDM4EHPGD
SCHEMBL4642972 0.83 PRKCA (0.39) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4640453 0.82 ALDH1A1 (0.45) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4640705 0.82 PRKCA (0.47) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4640004 0.81 HSP90AA1 (0.38) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4641007 0.81 PRKCA (0.43) PRKCAPRKCDALDH1A1TSHRMAPK1

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 PRKCA 1200/4885PRKCD 552/4885ALDH1A1 725/4885

“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.