Ethane

Ethane

SCHEMBL4640068

CC.Cc1ccc(C(=O)OC(C)(C)C)c(C(=O)O)c1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.49
SORT1 Q99523 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NOTUM Q6P988 1/20 0.38
GFER P55789 1/20 0.38
CLCN2 P51788 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
METAP2 P50579 1/20 0.37
MCL1 Q07820 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
MAOB P27338 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 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
SCHEMBL28778814 0.98 CSNK2A1 (0.50) CSNK2A1SORT1MEN1KMT2AALDH1A1
SCHEMBL6351061 0.90 CSNK2A1 (0.41) CSNK2A1MEN1KMT2AHDAC7
Ethane SCHEMBL4639902 0.82 KDM4E (0.46) SORT1
Ethane SCHEMBL4641157 0.82 GABRG2 (0.42) ALDH1A1
Ethane SCHEMBL4640067 0.82 ALDH1A1 (0.49) SORT1MEN1KMT2AALDH1A1CA1
Ethane SCHEMBL4640227 0.82 KEAP1 (0.46) ALDH1A1NOTUMCLCN2
SCHEMBL27534696 0.81 KDM4E (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL14859967 0.81 PDK2 (0.41) CSNK2A1KMT2AALDH1A1
SCHEMBL12301378 0.81 KMT2A (0.44) MEN1KMT2A
Ethane SCHEMBL4644131 0.81 KDM4E (0.38) SORT1MEN1KMT2AALDH1A1NOTUM

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 CSNK2A1 3362/4885SORT1 3169/4885MEN1 3562/4885

“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.