SCHEMBL6792498

SCHEMBL6792498

Clc1ccc([CH]c2ccc(C3OCCO3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
SIRT1 Q96EB6 1/20 0.39
CHRNA7 P36544 1/20 0.38
HSD17B10 Q99714 1/20 0.35
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
AHR P35869 1/20 0.32
MAOB P27338 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL6809631 0.88 MAPK1 (0.50) MAPK1CHRNA7CCNB2CDK1CCNB1
SCHEMBL2633867 0.79 MAPK1 (0.47) MAPK1CHRNA7TAAR1ALDH1A1SLC6A2
SCHEMBL6792504 0.77 MAPK1 (0.42) MAPK1CHRNA7TAAR1SLC6A2SLC6A4
SCHEMBL9451016 0.76 MEN1 (0.44) MAPK1CCNB2CDK1CCNB1GSK3B
SCHEMBL3569410 0.74 MAPK1 (0.47) MAPK1CHRNA7ALDH1A1
SCHEMBL3297545 0.74 MAPK1 (0.44) MAPK1CHRNA7TAAR1ALDH1A1SLC6A2
SCHEMBL3560743 0.74 MAPK1 (0.51) MAPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL1099421 0.74 ALDH1A1 (0.53) HSD17B10ALDH1A1
SCHEMBL4575908 0.74 ALDH1A1 (0.48) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL1202896 0.73 HSD17B10 (0.58) HSD17B10AHRMAOBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C MAPK1 3412/4885SIRT1 3894/4885CHRNA7 1735/4885

“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.