SCHEMBL3605022

SCHEMBL3605022

CCOc1ccc(C#Cc2cccnc2)c(C=O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.41
LMNA P02545 3/20 0.39
KMT2A Q03164 1/20 0.39
ALPL P05186 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACACB O00763 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) ERN1PTGDR2KMT2ANPC1MAPT
SCHEMBL3619084 0.78 ALDH1A1 (0.35) ERN1LMNANPC1RAB9AALDH1A1
SCHEMBL3612866 0.78 ERN1 (0.44) ERN1NPC1MAPTALDH1A1ACACB
SCHEMBL3614027 0.77 ERN1 (0.55) ERN1NCOA3NPC1MAPTALDH1A1
SCHEMBL28266855 0.68 ALDH1A1 (0.56) ERN1LMNAKMT2AALDH1A1L3MBTL1
SCHEMBL30963842 0.68 GRM5 (0.50) LMNAKMT2ACCNCCDK8CHRNB2
SCHEMBL30963881 0.68 CYP19A1 (0.50) LMNAKMT2ACCNCCDK8CHRNB2
SCHEMBL1527100 0.67 ERN1 (1.00) ERN1
SCHEMBL3599860 0.66 ERN1 (0.68) ERN1LMNAKMT2AMAPTALDH1A1
SCHEMBL453334 0.66 ALDH1A1 (0.45) ERN1LMNAALDH1A1L3MBTL1CYP3A4

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-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
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 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 (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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 ERN1 4354/4885PTGDR2 2206/4885NCOA3 2179/4885
US-20100249165-A1 PDZ DOMAIN MODULATORS PDLIM5, PSD, PDCD6IP ERN1 2349/4885PTGDR2 3906/4885NCOA3 1701/4885

“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.