SCHEMBL6405653

SCHEMBL6405653

COc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)C(C)(C)C)cc(C)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
GAA P10253 3/20 0.55
BLM P54132 1/20 0.55
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK10 P53779 2/20 0.49
EGFR P00533 1/20 0.49
PKM P14618 1/20 0.47
RORC P51449 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4646772 0.85 TSHR (0.59) TSHRGAABLMHTTRAB9A
SCHEMBL6404869 0.81 GAA (0.56) TSHRGAAHTTALDH1A1RAB9A
SCHEMBL4649479 0.78 GAA (0.54) TSHRGAAHTTALDH1A1RAB9A
SCHEMBL6406082 0.78 GAA (0.68) TSHRGAABLMHTTALDH1A1
SCHEMBL6409001 0.77 ADORA2B (0.53) TSHRGAAHTTALDH1A1HSD17B10
SCHEMBL6404289 0.76 GAA (0.55) TSHRGAAHTTALDH1A1RAB9A
SCHEMBL6406084 0.76 RAB9A (0.48) TSHRGAAHTTALDH1A1RAB9A
SCHEMBL4649301 0.76 GAA (0.70) TSHRGAAHTTALDH1A1RAB9A
SCHEMBL4744658 0.76 GAA (0.66) TSHRGAAHTTALDH1A1RAB9A
SCHEMBL6405657 0.74 GAA (0.52) TSHRGAAHTTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 US claimed
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 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-20050282838-A1 Compounds, compositions, and methods PCNA, MKI67, TP53 TSHR 4678/4885GAA 349/4885BLM 428/4885

“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.