SCHEMBL6672276

SCHEMBL6672276

CN[C@H](C(=O)O)C(C)(C)c1ccc(C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 2/20 0.35
FKBP5 Q13451 1/20 0.35
CYP2C19 P33261 1/20 0.34
CA2 P00918 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL6672278 1.00 KIF11 (0.40) KIF11TDP1SMN1; SMN2KMT2ANPC1
SCHEMBL6674793 0.83 MAPT (0.42) KIF11SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL6674790 0.83 MAPT (0.42) KIF11SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL6670264 0.82 TPMT (0.39) KIF11ALDH1A1
SCHEMBL6670267 0.82 TPMT (0.39) KIF11ALDH1A1
SCHEMBL6670753 0.82 KIF11 (0.46) KIF11SMN1; SMN2KMT2ARAB9ALMNA
SCHEMBL6670756 0.82 KIF11 (0.46) KIF11SMN1; SMN2KMT2ARAB9ALMNA
SCHEMBL6670653 0.81 HDAC1 (0.44) KIF11SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL6670650 0.81 HDAC1 (0.44) KIF11SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL20732297 0.79 ESR1 (0.42) KIF11LMNAALDH1A1

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 KIF11 1869/4885TDP1 4179/4885SMN1; SMN2 1481/4885

“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.