SCHEMBL5115689

SCHEMBL5115689

O=[N+]([O-])c1cnccc1CO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HTT P42858 5/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
CYP1A2 P05177 2/20 0.37
CA12 O43570 1/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1982550 0.87 ALDH1A1 (0.44) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL5106496 0.85 HTT (0.43) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL13566166 0.84 ALDH1A1 (0.42) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL12343951 0.83 ALDH1A1 (0.46) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL3329624 0.82 CYP1A2 (0.57) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL3329616 0.82 CYP1A2 (0.57) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL14705521 0.81 ALDH1A1 (0.45) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL4664879 0.81 ALDH1A1 (0.45) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL4067719 0.81 ALDH1A1 (0.45) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL4067726 0.81 ALDH1A1 (0.45) ALDH1A1HTTRAB9AMAPTKMT2A

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-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 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-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 ALDH1A1 24/4885HTT 1973/4885RAB9A 2704/4885

“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.