SCHEMBL814523

SCHEMBL814523

COc1ccc(C/N=C/c2nc3c(-c4ccccc4)ccc(-c4ccccc4)c3n2C)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 7/20 0.38
CYP3A4 P08684 7/20 0.38
CYP2D6 P10635 7/20 0.38
CYP2C19 P33261 7/20 0.38

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
SCHEMBL5608999 1.00 TAS1R3 (0.41) TAS1R3TAS1R1NPC1RAB9APKM
SCHEMBL5617427 0.96 TAS1R3 (0.39) TAS1R3TAS1R1NPC1RAB9APKM
SCHEMBL813868 0.79 MAPT (0.40) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL814088 0.77 MEN1 (0.40) TAS1R3TAS1R1NPC1RAB9APKM
SCHEMBL814012 0.76 HSD11B1 (0.37) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL10663104 0.72 CYP1B1 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL10663098 0.72 CYP1B1 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL814192 0.71 ALDH1A1 (0.35) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL813972 0.71 MEN1 (0.33) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL814180 0.70 LMNA (0.32) ALDH1A1SMN1; SMN2CYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603957-B1 POLYMERISATION AND OLIGOMERISATION CATALYSTS INEOS SALES UK LTD (GB) 2015-10-28 EP disclosed
EP-1603957-B1 POLYMERISATION AND OLIGOMERISATION CATALYSTS INEOS SALES UK LTD (GB) 2015-10-28 EP disclosed
US-8067328-B2 Polymerisation and oligomerisation catalysts INEOS EUROPE LIMITED (GB) 2011-11-29 US disclosed
US-7989565-B2 Polyolefins INEOS EUROPE LIMITED (GB) 2011-08-02 US disclosed
US-7989565-B2 Polyolefins INEOS EUROPE LIMITED (GB) 2011-08-02 US disclosed
US-20090124487-A1 Polyolefins BARCLAYS BANK PLC (GB) 2009-05-14 US disclosed
US-20090124487-A1 Polyolefins BARCLAYS BANK PLC (GB) 2009-05-14 US disclosed
US-20070207918-A1 Polymerisation and Oligomerisation Catalysts INEOS SALES (UK) LIMITED (GB) 2007-09-06 US disclosed
US-20070207918-A1 Polymerisation and Oligomerisation Catalysts INEOS SALES (UK) LIMITED (GB) 2007-09-06 US disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed
US-20060094588-A1 Polymerisation and oligomerisation catalysts BARCLAYS BANK PLC (GB) 2006-05-04 US 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-20060094588-A1 Polymerisation and oligomerisation catalysts CCNA1, AP2M1, AP2A1 TAS1R3 4509/4885TAS1R1 3461/4885NPC1 2996/4885

“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.