Ethane

Ethane

SCHEMBL4643089

CC.Cc1cc(C(=O)O)c(C(=O)OC(C)(C)C)cc1Br

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
LMNA P02545 1/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 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 SCHEMBL4641164 1.00 LCK (0.37) LCKFYNLMNAHSD17B10TSHR
Ethane SCHEMBL4643917 0.90 LCK (0.41) LCKFYNHSD17B10TSHRMEN1
Ethane SCHEMBL4644131 0.89 KDM4E (0.38) HSD17B10KDM4EGAAHPGDCYP2C9
SCHEMBL31455587 0.83 LMNA (0.38) LMNAHPGDCYP2C9CYP2C19NPSR1
SCHEMBL4628623 0.83 MAPK1 (0.43) LMNATSHRKDM4ENPSR1KMT2A
SCHEMBL6910969 0.83 MAPK1 (0.43) LMNATSHRKDM4ENPSR1KMT2A
Ethane SCHEMBL4640894 0.83 CA12 (0.36) LCKFYNHSD17B10TSHRMEN1
Ethane SCHEMBL4639959 0.82 HSD17B10 (0.39) LCKFYNHSD17B10TSHRCA12
Ethane SCHEMBL4639984 0.82 HSD17B10 (0.39) LCKFYNHSD17B10TSHRCA12
SCHEMBL4643084 0.81 HSD17B10 (0.36) LCKFYNHSD17B10TSHR

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 LCK 2375/4885FYN 669/4885LMNA 4878/4885

“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.