SCHEMBL3576228

SCHEMBL3576228

Cc1cccc(OC[C@H](CCOc2ccccc2)NC(=O)Nc2ccccc2Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
PLA2G1B P04054 1/20 0.43
KMT2A Q03164 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 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
SCHEMBL3577900 0.93 RAB9A (0.47) ALDH1A1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL3575803 0.84 MEN1 (0.43) ALDH1A1RAB9AHTTLMNAL3MBTL1
SCHEMBL3577627 0.84 MEN1 (0.43) ALDH1A1RAB9AHTTLMNAL3MBTL1
SCHEMBL13316685 0.84 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1DRD2DRD4ALOX5
SCHEMBL3574069 0.84 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1DRD2DRD4ALOX5
SCHEMBL3576724 0.82 CCKBR (0.40) ALDH1A1RAB9AHTTLMNAL3MBTL1
SCHEMBL3565201 0.79 SMN1; SMN2 (0.46) ALDH1A1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL3565935 0.76 MAOB (0.43) ALDH1A1RAB9AHTTLMNAMEN1
SCHEMBL3585190 0.75 SMN1; SMN2 (0.52) HTTSMN1; SMN2MEN1KMT2ADRD2
SCHEMBL3570887 0.72 KMT2A (0.47) ALDH1A1RAB9ASMN1; SMN2LMNAL3MBTL1

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 ALDH1A1 126/4885RAB9A 4047/4885HTT 2520/4885

“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.