SCHEMBL6134290

SCHEMBL6134290

CCOC(=O)c1ccc(-c2cn3nc(-c4ccc(OC5CCN(C6CCC(OCCCCCCOC)CC6)CC5)cc4)sc3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MAPT P10636 14/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
THRB P10828 2/20 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
SCHEMBL6134689 0.92 CA12 (0.40) CA12CA1CA2CA9MAPT
SCHEMBL6134926 0.87 HRH3 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL6134286 0.86 HDAC3 (0.40) CA12CA1CA2CA9MAPT
SCHEMBL6134291 0.85 MKNK1 (0.43) MAPTHRH3
SCHEMBL6134754 0.84 HRH3 (0.45) ALDH1A1HRH3
Trifluoroacetic Acid SCHEMBL6132409 0.82 MAPT (0.41) CA12CA1CA2CA9MAPT
SCHEMBL6132534 0.81 TP53 (0.50) CA12CA1CA2CA9MAPT
SCHEMBL6135143 0.81 MAPT (0.42) CA12CA1CA2CA9MAPT
SCHEMBL6134955 0.80 HRH3 (0.41) MAPTHRH3
SCHEMBL6135134 0.80 TP53 (0.44) CA12CA1CA2CA9MAPT

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-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 CA12 3234/4885CA1 2356/4885CA2 1899/4885

“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.