SCHEMBL20989294

SCHEMBL20989294

Cc1ccccc1CN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.84
MAPT P10636 8/20 0.84
HSD17B10 Q99714 4/20 0.84
NPSR1 Q6W5P4 1/20 0.84
TP53 P04637 7/20 0.79
SMN1; SMN2 Q16637 3/20 0.63
POLB P06746 1/20 0.63
LMNA P02545 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
GAA P10253 1/20 0.57

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
SCHEMBL20988891 0.88 MAPT (0.79) ALDH1A1MAPTHSD17B10NPSR1TP53
SCHEMBL28703726 0.84 MAPT (0.93) ALDH1A1MAPTHSD17B10NPSR1TP53
SCHEMBL20989297 0.84 ALDH1A1 (0.70) ALDH1A1MAPTHSD17B10NPSR1TP53
SCHEMBL20989296 0.84 ALDH1A1 (0.78) ALDH1A1MAPTHSD17B10NPSR1TP53
SCHEMBL28703720 0.81 MAPT (0.93) ALDH1A1MAPTHSD17B10NPSR1TP53
SCHEMBL20988941 0.81 MAPT (0.69) ALDH1A1MAPTHSD17B10NPSR1TP53
SCHEMBL20989215 0.81 MAPT (0.66) ALDH1A1MAPTHSD17B10NPSR1TP53
SCHEMBL4596903 0.80 MAPT (0.75) ALDH1A1MAPTHSD17B10NPSR1TP53
SCHEMBL28932883 0.80 MAPT (1.00) ALDH1A1MAPTHSD17B10NPSR1TP53
SCHEMBL28932882 0.78 MAPT (0.89) ALDH1A1MAPTHSD17B10NPSR1TP53

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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOG (US) 2019-05-09 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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS KRAS, NRAS, HRAS ALDH1A1 4716/4885MAPT 4750/4885HSD17B10 4764/4885

“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.