SCHEMBL5618892

SCHEMBL5618892

CCOC(=O)c1cc(OC)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.48
THRB P10828 2/20 0.47
TP53 P04637 3/20 0.47
CYP1A2 P05177 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.45
PDE4D Q08499 1/20 0.45

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
SCHEMBL16619843 0.87 KMT2A (0.51) KMT2AL3MBTL1NPSR1POLBTHRB
SCHEMBL1665229 0.81 DAO (0.58) KMT2AL3MBTL1NPSR1POLBTHRB
SCHEMBL163302 0.79 KMT2A (0.54) KMT2AL3MBTL1NPSR1POLBTHRB
SCHEMBL1423671 0.79 KMT2A (0.54) KMT2AL3MBTL1NPSR1POLBTHRB
SCHEMBL1007015 0.79 MAPK1 (0.61) KMT2AL3MBTL1NPSR1POLBTHRB
SCHEMBL5561961 0.79 KMT2A (0.48) KMT2AL3MBTL1NPSR1POLBTHRB
SCHEMBL21810849 0.79 POLB (0.45) KMT2AL3MBTL1NPSR1POLBTHRB
SCHEMBL21810887 0.79 KMT2A (0.45) KMT2AL3MBTL1NPSR1POLBTHRB
SCHEMBL21607841 0.79 HCAR2 (0.66) KMT2AL3MBTL1NPSR1POLBTHRB
SCHEMBL17593217 0.78 KMT2A (0.52) KMT2AL3MBTL1NPSR1POLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 US disclosed
WO-2021026672-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021009068-A1 N-SUBSTITUTED-3,4-(FUSED 5-RING)-5-PHENYL-PYRROLIDINE-2-ONE COMPOUNDS AS INHIBITORS OF ISOQC AND/OR QC ENZYME SCENIC IMMUNOLOGY B.V. (NL) 2021-01-21 WO disclosed
US-7285569-B2 Tricycles, their manufacture and use as pharmaceutical agents HOFF HOFFMANN-LA ROCHE INC. (US) 2007-10-23 US disclosed
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-03-30 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 (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-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 KMT2A 328/4885L3MBTL1 1713/4885NPSR1 4341/4885
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents ABCB1, CYP3A43, CYP3A5 KMT2A 4685/4885L3MBTL1 4385/4885NPSR1 3709/4885

“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.