SCHEMBL3618296

SCHEMBL3618296

CCOc1ccc(-c2ccc(OC)cc2)c(C=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.56
LMNA P02545 4/20 0.43
HTT P42858 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3614065 0.85 ERN1 (0.51) ERN1LMNAHTTMAPTALDH1A1
SCHEMBL3613315 0.85 ERN1 (0.56) ERN1HDAC4HDAC2HDAC8CYP3A4
SCHEMBL3609274 0.85 ERN1 (0.52) ERN1ADORA3MAPTALDH1A1SMN1; SMN2
SCHEMBL3618769 0.78 ERN1 (0.51) ERN1LMNAHTTHDAC4HDAC2
SCHEMBL3611783 0.77 ERN1 (0.48) ERN1LMNAMAPTALDH1A1MEN1
SCHEMBL3606927 0.77 ERN1 (0.45) ERN1ALDH1A1
SCHEMBL3612866 0.77 ERN1 (0.44) ERN1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3614027 0.76 ERN1 (0.55) ERN1MAPTALDH1A1CYP3A4KDM4E
SCHEMBL3603939 0.75 ERN1 (0.48) ERN1MAPTALDH1A1CYP3A4THRB
SCHEMBL3925069 0.75 ALDH1A1 (0.50) ERN1LMNAADORA3MAPTALDH1A1

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 2349/4885LMNA 4607/4885HTT 2180/4885

“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.