SCHEMBL13538680

SCHEMBL13538680

CCC(CC)(COC(C)(C)C)COC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL19542925 0.94 TSHR (0.33) TSHRTDP1MAPK1ALDH1A1
SCHEMBL12555908 0.94 TSHR (0.33) TSHRTDP1MAPK1ALDH1A1
SCHEMBL19543074 0.86 THRB (0.34)
SCHEMBL19543415 0.84 TSHR (0.33) TSHRTDP1ALDH1A1
SCHEMBL14890729 0.84 ALDH1A1 (0.32) TSHRTDP1ALDH1A1
SCHEMBL9249356 0.84 MAPK1 (0.32) MAPK1
SCHEMBL754497 0.83 MAPK1 (0.36) TSHRTDP1MAPK1ALDH1A1
SCHEMBL26380282 0.82
SCHEMBL13538691 0.82
SCHEMBL13537006 0.82 TSHR (0.32) TSHRTDP1

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
US-8951998-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8951998-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8324155-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20100003214-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-01-07 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-20100003214-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CYP3A4, CYP3A5, KEAP1 TSHR 4866/4885TDP1 3004/4885MAPK1 1952/4885

“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.