Ethane

Ethane

SCHEMBL4640134

CC.CC(C)(C)OC(=O)c1cccc(Cl)c1C(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
P2RX7 Q99572 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.37
MT-CO2 P00403 1/20 0.37
LMNA P02545 1/20 0.37
TTR P02766 1/20 0.37
PLA2G1B P04054 1/20 0.37
CYP1A2 P05177 1/20 0.37
PGR P06401 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL1957725 0.85 ALDH1A1 (0.41) PBRM1TSHRALDH1A1POLBHSD17B10
SCHEMBL31330407 0.83 ALOX15 (0.43) TSHRALDH1A1POLBKDM4EHSD17B10
Ethane SCHEMBL4642769 0.83 KDM4E (0.43) ALDH1A1POLBKDM4EHSD17B10MEN1
SCHEMBL4640133 0.81 PBRM1 (0.40) PBRM1TSHRALDH1A1POLBKDM4E
Ethane SCHEMBL4640473 0.81 MEN1 (0.43) ALDH1A1MEN1KMT2AARHPGD
Ethane SCHEMBL4639855 0.81 GRM6 (0.36) TSHRALDH1A1HSD17B10MEN1KMT2A
Ethane SCHEMBL7194624 0.81 KMT2A (0.43) POLBKMT2ALMNAMAPT
SCHEMBL15771897 0.81 GRM6 (0.40) TSHRALDH1A1POLBKDM4EHSD17B10
SCHEMBL6577861 0.80 ALOX15 (0.43) TSHRALDH1A1KDM4EHSD17B10LMNA
SCHEMBL28338341 0.80 PBRM1 (0.53) PBRM1TSHRALDH1A1POLBKDM4E

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 PBRM1 1880/4885TSHR 4817/4885ALDH1A1 725/4885

“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.