SCHEMBL4644128

SCHEMBL4644128

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33
SORT1 Q99523 1/20 0.32
NOTUM Q6P988 2/20 0.32
RXRB P28702 1/20 0.32
RARB P10826 1/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
TSHR P16473 1/20 0.31
MCL1 Q07820 1/20 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

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
SCHEMBL4640941 0.91 ESR1 (0.32) HSD17B10KDM4EGAAHPGDGABRP
SCHEMBL4641233 0.91 ESR1 (0.32) HSD17B10KDM4EGAAHPGDGABRP
SCHEMBL4640809 0.90 MEN1 (0.36) KDM4EALDH1A1SORT1NOTUMTSHR
SCHEMBL4643084 0.90 HSD17B10 (0.36) HSD17B10TSHR
SCHEMBL4641162 0.90 HSD17B10 (0.36) HSD17B10TSHR
SCHEMBL4643394 0.90 MEN1 (0.36) KDM4EALDH1A1SORT1NOTUMTSHR
SCHEMBL4640049 0.88 GABRP (0.34) HSD17B10ALDH1A1HPGDTSHRGABRP
SCHEMBL4640039 0.86 MEN1 (0.41) KDM4EALDH1A1SORT1NOTUMTSHR
SCHEMBL4643912 0.86 HSD17B10 (0.40) HSD17B10TSHRGABRPGABRDGABRA1
SCHEMBL4640936 0.84 ESR1 (0.35) GAA

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 HSD17B10 117/4885KDM4E 4127/4885ALDH1A1 725/4885

“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.