SCHEMBL4640049

SCHEMBL4640049

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
CLCN2 P51788 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GRIN2C Q14957 1/20 0.32

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
SCHEMBL4640046 0.94 ESR1 (0.35) ESR1ESR2TSHRHSD17B10ALDH1A1
SCHEMBL4640941 0.91 ESR1 (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4641233 0.91 ESR1 (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4641133 0.90 MEN1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4639980 0.90 HSD17B10 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4639957 0.90 HSD17B10 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4640845 0.90 MEN1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4644128 0.88 HSD17B10 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4640039 0.86 MEN1 (0.41) TSHRALDH1A1MEN1KMT2A
SCHEMBL4643912 0.86 HSD17B10 (0.40) GABRPGABRDGABRA1GABRB1GABRG2

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 GABRP 1753/4885GABRD 269/4885GABRA1 1929/4885

“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.