SCHEMBL19604353

SCHEMBL19604353

CC(=O)c1ccc(COC(C)(C)C)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 1/20 0.39
ESRRG P62508 1/20 0.39
MAOB P27338 10/20 0.38
MAOA P21397 7/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 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
SCHEMBL19604352 0.81 MAPT (0.47) ALDH1A1MAPTHPGDGAATSHR
SCHEMBL8830144 0.76 ALDH1A1 (0.42) MAOBMAOAALDH1A1MAPTHPGD
SCHEMBL5913725 0.76 CYP4F2 (0.41) MAOBMAOAALDH1A1MAPTHPGD
SCHEMBL19240330 0.75 ALDH1A1 (0.42) ALDH1A1MAPTGAAKDM4EHSD17B10
Hydrochloric Acid SCHEMBL5913379 0.73 MAOB (0.38) MAOBMAOAALDH1A1MAPTHPGD
SCHEMBL19251029 0.73 NPC1 (0.37) MAOBMAOAALDH1A1GAAHSD17B10
SCHEMBL5913429 0.72 NOS1 (0.41) ALDH1A1GAATSHR
SCHEMBL14081877 0.72 ALDH1A1 (0.36) ESRRBESRRGMAOBMAOAALDH1A1
SCHEMBL17740144 0.72 ALDH1A1 (0.42) MAOBMAOAALDH1A1MAPTHPGD
SCHEMBL19251337 0.71 MAOB (0.53) MAOBMAOA

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-20170326250-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-11-16 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-20170326250-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF MKI67, CCNI, PA2G4 ESRRB 3275/4885ESRRG 3143/4885MAOB 3160/4885

“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.