SCHEMBL6674790

SCHEMBL6674790

CNC(C(=O)O)C(C)(C)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KIF11 P52732 5/20 0.41
ALDH1A1 P00352 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6674793 1.00 MAPT (0.42) MAPTNPC1RAB9AKIF11ALDH1A1
SCHEMBL6670650 0.87 HDAC1 (0.44) MAPTNPC1RAB9AKIF11ALDH1A1
SCHEMBL6670653 0.87 HDAC1 (0.44) MAPTNPC1RAB9AKIF11ALDH1A1
SCHEMBL20732297 0.86 ESR1 (0.42) KIF11ALDH1A1TSHRHPGDLMNA
SCHEMBL5981504 0.85 HDAC3 (0.44) MAPTKIF11ALDH1A1KEAP1NFE2L2
SCHEMBL88835 0.85 HDAC3 (0.44) MAPTKIF11ALDH1A1KEAP1NFE2L2
SCHEMBL6670267 0.85 TPMT (0.39) MAPTKIF11ALDH1A1NPSR1GAA
SCHEMBL6670264 0.85 TPMT (0.39) MAPTKIF11ALDH1A1NPSR1GAA
SCHEMBL6674976 0.84 POLB (0.45) MAPTNPC1RAB9AKIF11ALDH1A1
SCHEMBL6801098 0.84 MME (0.40) NPC1RAB9AKIF11ALDH1A1HDAC1

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 MAPT 4461/4885NPC1 598/4885RAB9A 2507/4885

“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.