SCHEMBL2466546

SCHEMBL2466546

CC(C)(C)N[C@@](C)(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
CYP3A4 P08684 2/20 0.41
KCNN4 O15554 3/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2470413 1.00 ALDH1A1 (0.43) ALDH1A1ALOX15HDAC3HDAC4HDAC1
SCHEMBL10790255 0.90 ALDH1A1 (0.46) ALDH1A1ALOX15HDAC3HDAC4HDAC1
SCHEMBL3345076 0.78 KCNN4 (0.54) ALDH1A1ALOX15HDAC3HDAC4HDAC1
SCHEMBL8778104 0.75 KCNN4 (0.44) ALDH1A1ALOX15HDAC3HDAC4HDAC1
SCHEMBL18035828 0.75 KCNN4 (0.56) ALDH1A1ALOX15HDAC3HDAC4HDAC1
SCHEMBL8254374 0.75 KCNN4 (0.44) ALDH1A1ALOX15HDAC3HDAC4HDAC1
SCHEMBL14916526 0.74 ALDH1A1 (0.41) ALDH1A1ALOX15HDAC3HDAC4HDAC1
SCHEMBL5049524 0.73 SLC6A4 (0.41) ALDH1A1ALOX15HDAC3HDAC4HDAC1
SCHEMBL27776663 0.73 KCNN4 (0.59) ALDH1A1ALOX15HDAC3HDAC4HDAC1
SCHEMBL2037144 0.72 ALDH1A1 (0.48) ALDH1A1ALOX15HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083920-B1 N-ARYL-HYDROXYALKYLIDENE-CARBOXAMIDE COMPOUNDS AND THEIR USE WEI EDWARD TAK (US) 2011-10-05 EP disclosed
US-20100041757-A1 N-ARYL-HYDROXYALKYLIDENE-CARBOXAMIDE COMPOUNDS AND THEIR USE WEI EDWARD TAK 2010-02-18 US disclosed
EP-2083920-A1 N-ARYL-HYDROXYALKYLIDENE-CARBOXAMIDE COMPOUNDS AND THEIR USE Wei, Edward T. (US) 2009-08-05 EP disclosed
US-20080118558-A1 N-Arylshydroxyalkylidene carboxamide compositions and methods WEI EDWARD T 2008-05-22 US disclosed
WO-2008056118-A1 N-ARYL-HYDROXYALKYLIDENE-CARBOXAMIDE COMPOUNDS AND THEIR USE PAGET, HUGH, CHARLES, EDWARD (GB) 2008-05-15 WO disclosed
US-20070155755-A1 N-arylshydroxyalkylidene-carboxamide compositions and methods WEI EDWARD T 2007-07-05 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 (3 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-20080118558-A1 N-Arylshydroxyalkylidene carboxamide compositions and methods TRPV1, OPRL1, HRH2 ALDH1A1 2587/4885ALOX15 1110/4885HDAC3 1060/4885
US-20070155755-A1 N-arylshydroxyalkylidene-carboxamide compositions and methods TRPV1, OPRL1, HRH2 ALDH1A1 2771/4885ALOX15 1045/4885HDAC3 1058/4885
US-20100041757-A1 N-ARYL-HYDROXYALKYLIDENE-CARBOXAMIDE COMPOUNDS AND THEIR USE TRPV1, TRPA1, TRPV2 ALDH1A1 397/4885ALOX15 902/4885HDAC3 1121/4885

“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.