SCHEMBL5778960

SCHEMBL5778960

CC(C)(N)c1cccc(C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
UNG P13051 1/20 0.41
NFE2L2 Q16236 1/20 0.40
CYP2A6 P11509 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
FBP1 P09467 1/20 0.38
SRC P12931 1/20 0.37
TTR P02766 1/20 0.36
PIM1 P11309 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
BRD4 O60885 1/20 0.36
RECQL P46063 1/20 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
SCHEMBL309484 0.83 ALDH1A1 (0.48) ALDH1A1UNGNFE2L2CYP2A6SRC
SCHEMBL6848985 0.83 ALDH1A1 (0.48) ALDH1A1UNGNFE2L2CYP2A6CA12
SCHEMBL29846591 0.83 ALDH1A1 (0.48) ALDH1A1UNGNFE2L2CYP2A6SRC
SCHEMBL15352523 0.80 ALDH1A1 (0.45) ALDH1A1UNGNFE2L2CYP2A6CA12
SCHEMBL1111336 0.80 ALDH1A1 (0.45) ALDH1A1UNGNFE2L2CYP2A6FBP1
SCHEMBL16032971 0.80 TP53 (0.50) ALDH1A1NFE2L2FBP1TTRPIM1
SCHEMBL6854509 0.80 ESR1 (0.52) ALDH1A1UNGNFE2L2CYP2A6SRC
SCHEMBL3509619 0.80 UNG (0.46) ALDH1A1UNGNFE2L2CYP2A6CA12
SCHEMBL5015049 0.79 TAAR1 (0.52) ALDH1A1UNGNFE2L2CYP2A6CA12
SCHEMBL29425705 0.79 FBP1 (0.56) ALDH1A1NFE2L2FBP1TTRPIM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT ALDH1A1 1541/4885UNG 4784/4885NFE2L2 408/4885

“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.