SCHEMBL3076387

SCHEMBL3076387

Cc1ccc(CC#N)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
TP53 P04637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
AMY1A P0DUB6 1/20 0.40
LMNA P02545 2/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3067521 0.84 AMY1A (0.53) TRPA1TP53TDP1AMY1ALMNA
SCHEMBL2779759 0.80 NFE2L2 (0.37) ALDH1A1GAA
SCHEMBL30583474 0.80 NFE2L2 (0.37) ALDH1A1GAA
SCHEMBL11704268 0.80 TRPA1 (0.46) TRPA1TP53TDP1AMY1ALMNA
SCHEMBL1822997 0.79 PYCR1 (0.44) TP53TDP1LMNAALOX15HSD17B10
SCHEMBL28667436 0.79 TYR (0.58) TP53TDP1ALOX15MAPTMEN1
SCHEMBL3076688 0.78 CA3 (0.46) TDP1MAPTESR1ESR2TYR
SCHEMBL51100 0.76 AMY1A (0.57) TRPA1TP53TDP1AMY1ALMNA
SCHEMBL25275619 0.76 CSNK2A1 (0.40) TDP1LMNAHTR2BALOX15ALDH1A1
SCHEMBL952178 0.76 TAAR1 (0.38) AMY1AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 TRPA1 186/4885TP53 3631/4885TDP1 3607/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 TRPA1 186/4885TP53 3631/4885TDP1 3607/4885

“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.