SCHEMBL5110078

SCHEMBL5110078

CCCc1ccncc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 4/20 0.46
CYP2C8 P10632 4/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2A6 P11509 4/20 0.46
CYP2B6 P20813 4/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2C9 P11712 3/20 0.46
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
AOC1 P19801 5/20 0.40
AOC3 Q16853 5/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HASPIN Q8TF76 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
AURKA O14965 1/20 0.33

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
SCHEMBL5109069 0.92 CYP2E1 (0.46) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL10954433 0.87 CYP2E1 (0.51) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL5106244 0.83 CYP2E1 (0.43) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL8271491 0.83 CYP2E1 (0.49) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL29900474 0.83 AOC1 (0.43) CYP2A6AOC1AOC3CYP11B1CYP11B2
SCHEMBL6249306 0.83 AOC1 (0.43) CYP2A6AOC1AOC3CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL31303524 0.81 AOC1 (0.45) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL21618217 0.81 AOC1 (0.45) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL20643181 0.80 CYP2D6 (0.46) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL844847 0.79 CYP2E1 (0.43) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6

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 CYP2E1 15/4885CYP2C8 251/4885CYP2D6 68/4885

“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.