SCHEMBL4642991

SCHEMBL4642991

CCc1cc(C(=O)OC(CC)C(C)(C)C)c(C(=O)OC(CC)C(C)(C)C)cc1CC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
GRM1 Q13255 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
KCNH2 Q12809 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 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
SCHEMBL4642995 0.94 MEN1 (0.35) MEN1KMT2AALOX15ALOX12GRM1
SCHEMBL4639974 0.91 GRM1 (0.33) MEN1KMT2AGRM1
SCHEMBL4640946 0.89 L3MBTL1 (0.34) MEN1KMT2A
SCHEMBL4640671 0.89 GRIN2D (0.32) MEN1KMT2A
SCHEMBL4639998 0.88 GRM1 (0.36) MEN1KMT2AGRM1GABRA1GABRG2
SCHEMBL4640036 0.85 MEN1 (0.32) MEN1KMT2AGRM1GABRA1GABRG2
SCHEMBL4639978 0.85 MEN1 (0.32) MEN1KMT2AGRM1GABRA1GABRG2
SCHEMBL4640710 0.85 L3MBTL1 (0.36) MEN1KMT2AGRM1GABRA1GABRG2
SCHEMBL4640675 0.84 ATM (0.33) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL4640950 0.84 HSD17B10 (0.35) MEN1KMT2AGABRA1GABRG2GABRB3

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 3313/4885ALOX15 158/4885

“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.