SCHEMBL19862018

SCHEMBL19862018

CC12C=CC(C)(O1)[C@H]1C(=O)N(CBr)C(=O)[C@H]12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.51
APBA1 Q02410 7/20 0.51
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL15043612 0.82 CACNA1B (0.53) CACNA1BAPBA1ALDH1A1TP53HPGD
SCHEMBL15043596 0.81 CACNA1B (0.51) CACNA1BAPBA1ALDH1A1TP53HPGD
SCHEMBL19857280 0.80 CACNA1B (0.44) CACNA1BAPBA1ALDH1A1TP53HPGD
SCHEMBL15043597 0.79 CACNA1B (0.50) CACNA1BAPBA1ALDH1A1TP53HPGD
SCHEMBL21441627 0.79 CACNA1B (0.50) CACNA1BAPBA1ALDH1A1TP53HPGD
SCHEMBL15444037 0.79 CACNA1B (0.50) CACNA1BAPBA1ALDH1A1TP53HPGD
SCHEMBL15043607 0.78 CACNA1B (0.49) CACNA1BAPBA1ALDH1A1TP53HPGD
SCHEMBL22602378 0.78 CACNA1B (0.56) CACNA1BAPBA1ALDH1A1TP53HPGD
SCHEMBL15043595 0.77 CACNA1B (0.48) CACNA1BAPBA1ALDH1A1TP53HPGD
SCHEMBL21425541 0.75 CACNA1B (0.58) CACNA1BAPBA1ALDH1A1TP53HPGD

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-20180043033-A1 AMATOXIN-ANTIBODY CONJUGATES HEIDELBERG PHARMA GMBH (DE) 2018-02-15 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-20180043033-A1 AMATOXIN-ANTIBODY CONJUGATES C3AR1, ANTXR2, MTX2 CACNA1B 2953/4885APBA1 192/4885ALDH1A1 2955/4885

“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.