SCHEMBL4640036

SCHEMBL4640036

CCc1cc(C(=O)OC(CC)C(C)(C)C)c(C(=O)O)cc1C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXRB P28702 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 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
SCHEMBL4639978 1.00 MEN1 (0.32) MEN1KMT2ASMN1; SMN2RXRBALDH1A1
SCHEMBL4639974 0.94 GRM1 (0.33) MEN1KMT2ASMN1; SMN2GRM1UTS2R
SCHEMBL4640001 0.93 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2RXRBALDH1A1
SCHEMBL4642995 0.92 MEN1 (0.35) MEN1KMT2AALDH1A1GABRPGABRD
SCHEMBL4639859 0.87 ALDH1A1 (0.38) MEN1KMT2AALDH1A1GABRPGABRD
SCHEMBL4640434 0.87 ALDH1A1 (0.38) MEN1KMT2AALDH1A1GABRPGABRD
SCHEMBL4639998 0.87 GRM1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1GABRA1
SCHEMBL4642991 0.85 MEN1 (0.35) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL4640675 0.85 ATM (0.33) MEN1KMT2AALDH1A1GABRPGABRD
SCHEMBL4640950 0.85 HSD17B10 (0.35) MEN1KMT2AALDH1A1GABRPGABRD

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 3313/4885SMN1; SMN2 4567/4885

“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.