SCHEMBL5780067

SCHEMBL5780067

CC(c1ccc(C=O)cc1)N(OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.41
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ALDH1A3 P47895 1/20 0.35
ALDH1A1 P00352 5/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CYP2A6 P11509 3/20 0.31
CYP2A13 Q16696 1/20 0.31
MIF P14174 1/20 0.31
GHSR Q92847 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH5A1 P51649 1/20 0.30
ABAT P80404 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
SCHEMBL5780065 0.84 TYR (0.44) TYRADRB2ADRB1ADRB3ALDH1A3
SCHEMBL2065202 0.73 TYR (0.48) TYRADRB2ADRB1ADRB3ALDH1A3
SCHEMBL6665120 0.71 ADRB2 (0.37) TYRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL7546488 0.71 CYP2A6 (0.46) ADRB2ADRB1ADRB3ALDH1A3ALDH1A1
SCHEMBL16569010 0.71 TYR (0.46) TYRADRB2ADRB1ADRB3ALDH1A3
SCHEMBL3261042 0.70 CYP2A6 (0.48) ALDH1A3ALDH1A1NPC1RAB9AKDM4E
SCHEMBL14831224 0.70 CTSK (0.45) TYRALDH1A1NPC1RAB9AKDM4E
SCHEMBL14831223 0.70 CTSK (0.45) TYRALDH1A1NPC1RAB9AKDM4E
SCHEMBL24528858 0.69 BCL2A1 (0.39) TYRADRB2ADRB1ADRB3ALDH1A3
SCHEMBL2197875 0.69 TYR (0.47) TYRADRB2ADRB1ADRB3ALDH1A3

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 TYR 650/4885ADRB2 339/4885ADRB1 129/4885

“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.