SCHEMBL3612866

SCHEMBL3612866

CCOc1ccc(C#Cc2ccc(OC)cc2)c(C=O)c1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.44
APP P05067 1/20 0.43
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 1/20 0.41
ACACB O00763 9/20 0.40
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL3613151 0.86 PTGDR2 (0.40) ERN1MAPTACACBMAOBALDH1A1
SCHEMBL3619084 0.81 ALDH1A1 (0.35) ERN1KDM4EALDH1A1NPC1
SCHEMBL3605022 0.78 ERN1 (0.50) ERN1MAPTACACBALDH1A1NPC1
SCHEMBL3618296 0.77 ERN1 (0.56) ERN1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6358019 0.76 ERN1 (0.46) ERN1KDM4EACACBALDH1A1
SCHEMBL28266855 0.71 ALDH1A1 (0.56) ERN1KDM4EALDH1A1
SCHEMBL3074037 0.69 ALDH1A1 (0.53) MAPTACACBALDH1A1SMN1; SMN2
SCHEMBL453334 0.68 ALDH1A1 (0.45) ERN1KDM4EALDH1A1
SCHEMBL3599860 0.68 ERN1 (0.68) ERN1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3613315 0.68 ERN1 (0.56) ERN1CYP1A2

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 ERN1 2349/4885APP 1341/4885MAPT 1041/4885

“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.