Ethane

Ethane

SCHEMBL4643835

CC.CCc1cccc(C(=O)OC(C)(C)C)c1C(=O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
SLC7A5 Q01650 1/20 0.37
RXRA P19793 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PPARA Q07869 3/20 0.37
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARG P37231 2/20 0.36
FOLH1 Q04609 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36

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
SCHEMBL27963569 0.98 CLCN2 (0.41) CLCN2GABRA1GABRB2SLC7A5RXRA
SCHEMBL28203253 0.85 CLCN2 (0.38) CLCN2GABRA1GABRB2PPARABID
SCHEMBL4643832 0.84 CLCN2 (0.38) CLCN2GABRA1GABRB2PPARABID
SCHEMBL31330407 0.82 ALOX15 (0.43) SLC7A5ADRA1AADRA1B
Ethane SCHEMBL4642769 0.81 KDM4E (0.43) SLC7A5
SCHEMBL4628283 0.81 CA12 (0.37) CLCN2GABRA1GABRB2SLC7A5CRHBP
SCHEMBL8955760 0.81 ALDH1A1 (0.49) CLCN2PPARA
SCHEMBL4627465 0.81 TSHR (0.53) CRHBPCRHR2
SCHEMBL951581 0.80 TSHR (0.46) CLCN2GABRA1GABRB2CRHBPCRHR2
Ethane SCHEMBL4639855 0.80 GRM6 (0.36) SLC7A5RXRANR1H2NR1H3ADRA1A

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 CLCN2 4314/4885GABRA1 1929/4885GABRB2 2101/4885

“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.