SCHEMBL3613151

SCHEMBL3613151

CCOc1ccc(C#Cc2ccccc2)c(C=O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GLA P06280 1/20 0.37
ERN1 O75460 3/20 0.36
FFAR1 O14842 2/20 0.36
ACACB O00763 1/20 0.36
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
VCP P55072 1/20 0.35
RELA Q04206 1/20 0.35
PADI4 Q9UM07 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL3612866 0.86 ERN1 (0.44) ALDH1A1ERN1ACACBMAPTMAOB
SCHEMBL3605022 0.86 ERN1 (0.50) PTGDR2ALDH1A1L3MBTL1ERN1FFAR1
SCHEMBL3619084 0.84 ALDH1A1 (0.35) ALDH1A1ERN1NPC1RAB9A
SCHEMBL3608305 0.78 PTK6 (0.41) PTGDR2ALDH1A1L3MBTL1GLAERN1
SCHEMBL3609274 0.75 ERN1 (0.52) PTGDR2ALDH1A1L3MBTL1GLAERN1
SCHEMBL3609854 0.75 ERN1 (0.54) ALDH1A1ERN1KMT2A
SCHEMBL28266855 0.74 ALDH1A1 (0.56) ALDH1A1L3MBTL1ERN1KMT2A
SCHEMBL21165796 0.73 L3MBTL1 (0.41) PTGDR2ALDH1A1L3MBTL1GLAFFAR1
SCHEMBL9355648 0.72 MAPT (0.50) PTGDR2ALDH1A1L3MBTL1GLAFFAR1
SCHEMBL17975080 0.72 PTGDR2 (0.47) PTGDR2ALDH1A1L3MBTL1GLAFFAR1

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
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US claimed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP claimed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 WO claimed
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US disclosed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP disclosed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 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 (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-20100249165-A1 PDZ DOMAIN MODULATORS PDLIM5, PSD, PDCD6IP PTGDR2 3906/4885ALDH1A1 3764/4885L3MBTL1 772/4885

“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.