SCHEMBL4639939

SCHEMBL4639939

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
SORT1 Q99523 10/20 0.38
HPGD P15428 1/20 0.38
MYC P01106 1/20 0.38
NR4A1 P22736 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APEX1 P27695 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL4639934 0.93 HPGD (0.40) KDM4EHPGDALDH1A1SMN1; SMN2PTGDR2
SCHEMBL4640464 0.87 ALDH1A1 (0.43) KDM4EGLAPOLBAKR1C2AKR1C1
SCHEMBL4641293 0.85 CSNK2A1 (0.41) KDM4ESORT1ALDH1A1
SCHEMBL4640832 0.85 METAP2 (0.39) AKR1C2HPGDALDH1A1SMN1; SMN2
SCHEMBL4640713 0.85 HSD17B10 (0.39) KDM4EAKR1C2AKR1C1ALDH1A1
SCHEMBL4639930 0.84 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL4641151 0.82 KDM4E (0.41) KDM4EGLAPOLBAKR1C2AKR1C1
SCHEMBL2485771 0.82 L3MBTL1 (0.47) KDM4EGLAPOLBAKR1C2AKR1C1
SCHEMBL15675541 0.81 ALDH1A1 (0.52) KDM4EPOLBHPGDALDH1A1
SCHEMBL4640001 0.81 SMN1; SMN2 (0.36) KDM4ESORT1HPGDALDH1A1SMN1; SMN2

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 KDM4E 4127/4885GLA 3539/4885POLB 598/4885

“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.