SCHEMBL19604355

SCHEMBL19604355

CC(C)(C)OCc1ccc(N)c(C=O)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.33
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ERN1 O75460 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRIM24 O15164 1/20 0.30
TYR P14679 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL12012867 0.75 SMN1; SMN2 (0.40) CDK1ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL6138207 0.75 GAA (0.48) CDK1ALDH1A1KMT2ATDP1MAPT
SCHEMBL19621198 0.73 SKP2 (0.44) CDK1ALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL19240330 0.73 ALDH1A1 (0.42) ALDH1A1KMT2ATDP1MAPTKDM4E
SCHEMBL19251029 0.71 NPC1 (0.37) ALDH1A1GAAHSD17B10SMN1; SMN2
SCHEMBL7935368 0.70 MAOA (0.51) CDK1ALDH1A1TDP1MAPTKDM4E
SCHEMBL19604353 0.70 ESRRB (0.39) ALDH1A1L3MBTL1MAPTHPGDKDM4E
SCHEMBL648537 0.70 AGXT (0.39) TSHR
SCHEMBL11957416 0.69 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1MAPTHPGD
SCHEMBL13638852 0.69 HRH3 (0.44) ALDH1A1L3MBTL1KMT2ATDP1MAPT

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 CDK1 34/4885ALDH1A1 2251/4885L3MBTL1 3571/4885

“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.