SCHEMBL6670264

SCHEMBL6670264

CNC(C(=O)O)C(C)(C)c1cc(C)cc(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.39
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PYGL P06737 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
KIF11 P52732 3/20 0.32
GLA P06280 1/20 0.32
GAA P10253 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
SCHEMBL6670267 1.00 TPMT (0.39) TPMTRXRARXRBSLC1A3SLC1A2
SCHEMBL6674793 0.85 MAPT (0.42) NPSR1ALDH1A1KIF11GAAMAPT
SCHEMBL6674790 0.85 MAPT (0.42) NPSR1ALDH1A1KIF11GAAMAPT
SCHEMBL6670756 0.84 KIF11 (0.46) CNR1CNR2HTTNPSR1KIF11
SCHEMBL6670753 0.84 KIF11 (0.46) CNR1CNR2HTTNPSR1KIF11
SCHEMBL6806035 0.84 MAPT (0.45) RXRARXRBALDH1A1MAPT
SCHEMBL6809621 0.84 SLC6A3 (0.39) HTTMAPT
SCHEMBL6809623 0.84 SLC6A3 (0.39) HTTMAPT
SCHEMBL6806037 0.84 MAPT (0.45) RXRARXRBALDH1A1MAPT
SCHEMBL22111206 0.83 HTT (0.40) TPMTRXRARXRBCNR1CNR2

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-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN TPMT 216/4885RXRA 2333/4885RXRB 2770/4885

“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.