SCHEMBL3574844

SCHEMBL3574844

Cc1cccc(OCC(CNc2ccccc2[N+](=O)[O-])NC(=O)OCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CTSK P43235 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTRB1 P17538 2/20 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
SCHEMBL3576285 0.89 ALDH1A1 (0.47) POLBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3576287 0.89 ALDH1A1 (0.47) POLBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3565201 0.81 SMN1; SMN2 (0.46) POLBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3576745 0.79 MEN1 (0.48) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3568500 0.79 CTSK (0.47) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3574850 0.77 ALDH1A1 (0.39) POLBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3575439 0.77 SYK (0.66) MAPTSMN1; SMN2CTSKMEN1KMT2A
SCHEMBL7037206 0.76 GSTP1 (0.55) ALDH1A1CTSKGSTP1GSTM2
Bromide SCHEMBL3571795 0.76 SMN1; SMN2 (0.48) POLBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3578459 0.73 MEN1 (0.44) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1

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 POLB 2803/4885ALDH1A1 126/4885MAPT 694/4885

“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.