SCHEMBL4640740

SCHEMBL4640740

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.45
PRKCD Q05655 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.40
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
GRIN2C Q14957 1/20 0.37
NR1H4 Q96RI1 4/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C3 P42330 1/20 0.36
RXRB P28702 1/20 0.35
EPHX2 P34913 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
CYP2C19 P33261 1/20 0.34
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
AKR1C1 Q04828 1/20 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
SCHEMBL4640008 0.90 TDP1 (0.42) PRKCAPRKCDTDP1ALDH1A1HSP90AA1
SCHEMBL4640004 0.83 HSP90AA1 (0.38) PRKCAPRKCDTDP1ALDH1A1HSP90AA1
SCHEMBL4641004 0.83 PRKCA (0.51) PRKCAPRKCDTDP1ALDH1A1TSHR
SCHEMBL4640913 0.83 PRKCA (0.48) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4640967 0.82 ALDH1A1 (0.44) PRKCAPRKCDTDP1ALDH1A1HSP90AA1
SCHEMBL18628681 0.82 PRKCA (0.55) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4640705 0.82 PRKCA (0.47) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4640712 0.82 PRKCA (0.47) PRKCAPRKCDALDH1A1TSHR
SCHEMBL4640962 0.82 PRKCA (0.47) PRKCAPRKCDALDH1A1TSHRMAPK1
SCHEMBL4639977 0.82 PRKCA (0.47) PRKCAPRKCDALDH1A1AKR1C2AKR1C1

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 552/4885TDP1 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.