SCHEMBL3573084

SCHEMBL3573084

Cc1cccc(ON(C(=O)O)C(C)COCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
RECQL P46063 1/20 0.44
MAOA P21397 2/20 0.43
FFAR1 O14842 1/20 0.41
ALOX5 P09917 1/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
SLC2A1 P11166 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3573082 0.77 MAOB (0.51) MAOBCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL3585196 0.75 SMN1; SMN2 (0.44) CYP2D6CYP2C9CYP2C19TSHRMEN1
SCHEMBL7921889 0.73 MAOB (0.68) MAOBCYP2D6CYP2C19MAOATSHR
SCHEMBL3576288 0.71 POLB (0.44) CYP2D6CYP2C9CYP2C19MEN1KMT2A
SCHEMBL9506289 0.70 TSHR (0.49) MAOBCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL6636271 0.70 TSHR (0.51) MAOBCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL15266112 0.69 TSHR (0.49) MAOBCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL3580418 0.69 MEN1 (0.48) MAOBRECQLMEN1KMT2AMAPT
SCHEMBL1767329 0.69 TSHR (0.65) MAOBCYP2D6CYP2C9CYP2C19MAOA
SCHEMBL8104417 0.68 MAOB (0.54) MAOBMAOAFFAR1TSHRMEN1

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-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 EP 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-20060270693-A1 Ether derivative UROD, IL5, IL17A MAOB 3702/4885CYP2D6 69/4885CYP2C9 246/4885

“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.