Ethane

Ethane

SCHEMBL4640894

CC.CC(C)(C)OC(=O)c1cc(Br)c(Cl)cc1C(=O)O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
RHEB Q15382 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
HSD17B10 Q99714 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA13 Q8N1Q1 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
CISD1 Q9NZ45 1/20 0.34
STAT3 P40763 1/20 0.34
TSHR P16473 3/20 0.33
POLB P06746 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
Ethane SCHEMBL4643917 0.89 LCK (0.41) CA12CA1CA2CA9LCK
Ethane SCHEMBL4640042 0.89 TSHR (0.41) CA12CA1CA2CA9HSD17B10
SCHEMBL15920583 0.87 TSHR (0.42) CA12CA1CA2CA9HSD17B10
Ethane SCHEMBL4643089 0.83 LCK (0.37) CA12CA1CA2CA9LCK
Ethane SCHEMBL4640813 0.83 MEN1 (0.36) CA12CA1CA2CA9HSD17B10
Ethane SCHEMBL4641164 0.83 LCK (0.37) CA12CA1CA2CA9LCK
SCHEMBL4628633 0.82 CYP4F2 (0.46) CA12CA1CA2CA9CA7
SCHEMBL4640890 0.82 HSD17B10 (0.35) CA12CA1CA2CA9LCK
SCHEMBL23753313 0.81 CA1 (0.46) CA12CA1CA2CA9CA14
Ethane SCHEMBL4639959 0.81 HSD17B10 (0.39) CA12CA1CA2CA9LCK

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 CA12 2609/4885CA1 3188/4885CA2 2590/4885

“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.