Ethane

Ethane

SCHEMBL4640227

CC.CC(C)(C)OC(=O)c1ccc(F)cc1C(=O)O

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRA6 Q16445 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CLCN2 P51788 1/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
ALDH1A1 P00352 2/20 0.37
DHODH Q02127 1/20 0.36
NR3C2 P08235 2/20 0.36
MPO P05164 1/20 0.36
NOTUM Q6P988 1/20 0.36
HIF1A Q16665 1/20 0.35
ACLY P53396 1/20 0.35

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
Ethane SCHEMBL4640068 0.82 CSNK2A1 (0.49) CLCN2ALDH1A1NOTUM
SCHEMBL591090 0.81 CES2 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4640225 0.81 KEAP1 (0.41) KEAP1CLCN2CES2CES1DHODH
Ethane SCHEMBL4639902 0.81 KDM4E (0.46) KDM4EHSD17B10
Ethane SCHEMBL4641157 0.81 GABRG2 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
Ethane SCHEMBL4640067 0.81 ALDH1A1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4627481 0.80 TSHR (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28778814 0.80 CSNK2A1 (0.50) CLCN2ALDH1A1NOTUM
SCHEMBL20570435 0.80 EGFR (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31757267 0.80 GABRA1 (0.47) KEAP1GABRA1GABRG2GABRB3GABRA5

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 KEAP1 468/4885GABRA1 1929/4885GABRG2 2649/4885

“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.