SCHEMBL13043598

SCHEMBL13043598

COC(=O)C1CC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MMP2 P08253 1/20 0.44
ANPEP P15144 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL15248884 1.00 IDO1 (0.54) IDO1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL2576999 0.84 ALDH1A1 (0.55) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL30879550 0.83 SLC9A1 (0.62) IDO1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL30879548 0.83 SLC9A1 (0.62) IDO1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5780021 0.83 SLC9A1 (0.62) IDO1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL23425327 0.81 MAPT (0.58) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL15248885 0.81 MAPT (0.58) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3737728 0.81 MAPT (0.58) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL2563497 0.81 MAPT (0.58) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL23116564 0.81 MAPT (0.58) MAPTALDH1A1HPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720036-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 EP disclosed
WO-2024243692-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF QUEEN'S UNIVERSITY AT KINGSTON (CA) 2024-12-05 WO disclosed
US-7834013-B2 Racemic-(trans)-2-[4-({[3-(phenyloxy)phenyl]methyl}ammonium)phenyl]cyclopropanecarboxylic acid; type II diabetes; G protein-coupled receptor 40 (GPR40) agonists GLAXOSMITHKLINE LLC (US) 2010-11-16 US disclosed
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GLAXOSMITHKLINE LLC 2009-04-23 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-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GPR65, GPR88, GPR84 IDO1 3106/4885MAPT 3025/4885ALDH1A1 2055/4885

“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.