Ethane

Ethane

SCHEMBL6917971

CC.CC(C)Oc1cc(Br)ccc1C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
AR P10275 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GLA P06280 1/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
ADRB3 P13945 6/20 0.42
ADRB1 P08588 5/20 0.42
CFD P00746 2/20 0.41
MYC P01106 1/20 0.41
NR4A1 P22736 1/20 0.41
SORT1 Q99523 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL20242123 0.98 ALDH1A1 (0.54) ALDH1A1ARKDM4EGLAIRAK4
SCHEMBL21607500 0.86 PTGDR2 (0.47) ALDH1A1ARIRAK4PTGDR2POLB
SCHEMBL20107872 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EGLAPTGDR2CFD
SCHEMBL29816552 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EGLAPTGDR2CFD
SCHEMBL8512059 0.82 NR4A2 (0.47) ALDH1A1ARKDM4EIRAK4HSD17B10
SCHEMBL18309195 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EIRAK4ADRB3ADRB1
SCHEMBL20107592 0.81 RORC (0.42) ALDH1A1KDM4EGLACFDMYC
SCHEMBL21853435 0.81 RORC (0.42) ALDH1A1KDM4EGLACFDMYC
SCHEMBL29512881 0.81 RORC (0.42) ALDH1A1KDM4EGLACFDMYC
SCHEMBL5236256 0.81 KDM4E (0.44) ALDH1A1KDM4EGLACFDMYC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040249188-A1 Process for the preparation of 3-ethoxy-4-(alkoxy carbonyl)-phenyl acetic acid. (an intermediate of repaglinide) DR. REDDY'S LABORATORIES LIMITED 2004-12-09 US 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-20040249188-A1 Process for the preparation of 3-ethoxy-4-(alkoxy carbonyl)-phenyl acetic acid. (an intermediate of repaglinide) ALDH1A1, ADRM1, ALDH7A1 ALDH1A1 1/4885AR 340/4885KDM4E 195/4885

“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.