SCHEMBL4640845

SCHEMBL4640845

CCCC(C)(C)OC(=O)c1cc(CC)c(Cl)cc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TAAR1 Q96RJ0 1/20 0.33
CLCN2 P51788 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
CISD1 Q9NZ45 4/20 0.32
ALDH1A1 P00352 5/20 0.32
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL4641133 1.00 MEN1 (0.36) MEN1KMT2ATAAR1CLCN2MRGPRX4
SCHEMBL4640842 0.94 GRIN2D (0.33) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL4640039 0.92 MEN1 (0.41) MEN1KMT2ATAAR1CISD1ALDH1A1
SCHEMBL4640049 0.90 GABRP (0.34) MEN1KMT2ACLCN2ALDH1A1GABRP
SCHEMBL4640809 0.86 MEN1 (0.36) MEN1KMT2ATAAR1CLCN2CISD1
SCHEMBL4643394 0.86 MEN1 (0.36) MEN1KMT2ATAAR1CLCN2CISD1
SCHEMBL4640037 0.85 NPC1 (0.35) MEN1KMT2ACA12CA1CA2
SCHEMBL4640890 0.85 HSD17B10 (0.35) MEN1KMT2ATAAR1CISD1ALDH1A1
SCHEMBL4641233 0.85 ESR1 (0.32) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL4640941 0.85 ESR1 (0.32) KDM4EGABRPGABRDGABRA1GABRB1

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 MEN1 3562/4885KMT2A 3313/4885TAAR1 4270/4885

“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.