Ethane

Ethane

SCHEMBL4644131

CC.Cc1cc(C(=O)O)c(C(=O)OC(C)(C)C)cc1C

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXRB P28702 1/20 0.36
SORT1 Q99523 1/20 0.36
NOTUM Q6P988 1/20 0.35
MCL1 Q07820 1/20 0.35
GRM6 O15303 1/20 0.34
EGFR P00533 1/20 0.34
AR P10275 1/20 0.34
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33

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
SCHEMBL6350428 0.90 CYP2C9 (0.41) MEN1KMT2ACYP2C9CYP2C19NPSR1
Ethane SCHEMBL4643089 0.89 LCK (0.37) KDM4EGAAHPGDHSD17B10ALDH1A1
Ethane SCHEMBL4641164 0.89 LCK (0.37) KDM4EGAAHPGDHSD17B10ALDH1A1
Ethane SCHEMBL4640813 0.89 MEN1 (0.36) KDM4EGAAHPGDHSD17B10MEN1
SCHEMBL828474 0.88 ALDH1A1 (0.37) HSD17B10ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL28401369 0.88 ALDH1A1 (0.37) HSD17B10ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL828860 0.88 ALDH1A1 (0.37) HSD17B10ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL27389488 0.88 ALDH1A1 (0.37) HSD17B10ALDH1A1MEN1KMT2ACYP2C9
Ethane SCHEMBL4640944 0.87 EGFR (0.35) KDM4EGAAHPGDHSD17B10MEN1
Ethane SCHEMBL4641236 0.87 EGFR (0.35) KDM4EGAAHPGDHSD17B10MEN1

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 KDM4E 4127/4885GAA 4147/4885HPGD 9/4885

“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.