Ethane

Ethane

SCHEMBL4640042

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SORT1 Q99523 5/20 0.36
AKR1C2 P52895 3/20 0.36
AKR1C1 Q04828 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 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
SCHEMBL15920583 0.98 TSHR (0.42) TSHRPOLBHTTCA12CA1
Ethane SCHEMBL4640813 0.90 MEN1 (0.36) TSHRPOLBCA12CA1CA2
Ethane SCHEMBL4640894 0.89 CA12 (0.36) TSHRPOLBCA12CA1CA2
Ethane SCHEMBL4640849 0.88 MEN1 (0.35) TSHRPOLBCA12CA1CA2
SCHEMBL828474 0.87 ALDH1A1 (0.37) TSHRCA12CA1CA2CA9
SCHEMBL828860 0.87 ALDH1A1 (0.37) TSHRCA12CA1CA2CA9
SCHEMBL27389488 0.87 ALDH1A1 (0.37) TSHRCA12CA1CA2CA9
SCHEMBL28401369 0.87 ALDH1A1 (0.37) TSHRCA12CA1CA2CA9
Ethane SCHEMBL4644131 0.84 KDM4E (0.38) MEN1KMT2ASORT1ALDH1A1KDM4E
SCHEMBL9618204 0.83 ALDH1A1 (0.38) CA12CA1CA2CA9MEN1

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 TSHR 4817/4885POLB 598/4885HTT 730/4885

“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.