SCHEMBL6764116

SCHEMBL6764116

CCOc1cc2c(cc1OCC)[C@]1(CC[C@H](C(=O)OCc3ccccc3)CC1)N(CCN1C(=O)c3ccccc3C1=O)CC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
EGFR P00533 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
CCR8 P51685 1/20 0.35

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
SCHEMBL6764113 1.00 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL6764465 0.92 ALDH1A1 (0.44) ALDH1A1KMT2A
SCHEMBL6764464 0.92 ALDH1A1 (0.44) ALDH1A1KMT2A
SCHEMBL6764328 0.89 EGFR (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL6764332 0.89 EGFR (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL6757288 0.88 EGFR (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL6757285 0.88 EGFR (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL6764421 0.88 ALDH1A1 (0.47) ALDH1A1
SCHEMBL6764426 0.88 ALDH1A1 (0.47) ALDH1A1
SCHEMBL6762218 0.87 MAPT (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity KCNN1, KCNN2, KCNN3 ALDH1A1 1229/4885KMT2A 1633/4885SMN1; SMN2 3337/4885

“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.