Benzaldehyde

Benzaldehyde

SCHEMBL6074528

N#Cc1ccc(N2CCC3(CC2)OCCO3)cc1.O=Cc1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
LGMN Q99538 1/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
F12 P00748 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRNA10 Q9GZZ6 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
Benzaldehyde SCHEMBL6075591 0.88 TRIM24 (0.51) KDM4ELGMNTRIM24TRIM33POLB
SCHEMBL4841701 0.85 KDM4E (0.53) KCNH2KDM4ETP53LGMNPOLB
SCHEMBL1664589 0.83 TRIM24 (0.58) KDM4ELGMNTRIM24TRIM33POLB
SCHEMBL20347012 0.80 KDM4E (0.50) KCNH2KDM4ETP53LGMNPOLB
SCHEMBL30286655 0.75 LGMN (0.46) LGMNTRIM24TRIM33POLBALDH1A1
SCHEMBL612022 0.75 LMNA (0.55) KDM4ELGMNPOLBALDH1A1SMN1; SMN2
SCHEMBL31380581 0.71 LGMN (0.50) KDM4ETP53LGMNPOLBALDH1A1
Benzonitrile SCHEMBL9298514 0.70 ALDH1A1 (0.64) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL17542673 0.70 KDM4E (0.54) KCNH2KDM4ETP53ALDH1A1SLC6A2
SCHEMBL14117664 0.69 LTA4H (0.55) KCNH2KDM4ETP53LGMNPOLB

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-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 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-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 KCNH2 812/4885KDM4E 4266/4885TP53 4344/4885

“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.