SCHEMBL3910099

SCHEMBL3910099

CC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LTA4H P09960 2/20 0.47
HDAC1 Q13547 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MCL1 Q07820 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL7381558 0.89 CTSV (0.52) MAOBNPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL27960495 0.88 ALDH1A1 (0.50) MAOBNPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL22626751 0.86 NPC1 (0.50) MAOBNPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL23916241 0.84 KLKB1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL15589441 0.84 MAOB (0.47) MAOBNPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL629633 0.82 ALOX5 (0.47) MAOBNPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL4485886 0.82 PLAU (0.52) NPC1RAB9ASMN1; SMN2LTA4HHDAC1
SCHEMBL2987817 0.82 RAB9A (0.74) NPC1RAB9ASMN1; SMN2LTA4HMEN1
SCHEMBL10281533 0.82 HDAC1 (0.48) MAOBNPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL22920172 0.81 PDK1 (0.65) MAOBNPC1RAB9ASMN1; SMN2LTA4H

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
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 MAOB 3621/4885NPC1 639/4885RAB9A 1839/4885

“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.