Ethane

Ethane

SCHEMBL5478559

CC.Cc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)ccn1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
PDE2A O00408 2/20 0.36
PDE10A Q9Y233 11/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL1581419 0.92 TSHR (0.38) TSHRPDE10ARECQLALDH1A1HTT
SCHEMBL1581447 0.91 TSHR (0.41) TSHRPDE10ARECQLALDH1A1HTT
SCHEMBL1581549 0.91 TSHR (0.36) TSHRPDE10ARECQLALDH1A1HTT
SCHEMBL12340534 0.90 TSHR (0.48) TSHRPDE10ARECQLALDH1A1HTT
SCHEMBL1581487 0.89 TSHR (0.38) TSHRPDE10ARECQLALDH1A1HTT
SCHEMBL1581540 0.88 TSHR (0.37) TSHRPDE10ARECQLALDH1A1HTT
SCHEMBL3990602 0.88 TSHR (0.41) TSHRPDE10ARECQLALDH1A1HTT
SCHEMBL3987690 0.88 TSHR (0.39) TSHRPDE10ARECQLALDH1A1HTT
Filibuvir SCHEMBL1053035 0.88 TSHR (0.38) TSHRPDE10ARECQLALDH1A1HTT
Filibuvir SCHEMBL12748294 0.88 TSHR (0.38) TSHRPDE10ARECQLALDH1A1HTT

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-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 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-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT TSHR 4713/4885PDE2A 2157/4885PDE10A 3125/4885

“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.