SCHEMBL4610463

SCHEMBL4610463

Cc1nc(Oc2ccc3c(c2)OCO3)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
KCNH2 Q12809 1/20 0.44
GHSR Q92847 1/20 0.44
NOS2 P35228 5/20 0.44
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
CHEK2 O96017 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ERN1 O75460 1/20 0.40

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
SCHEMBL5575305 0.76 KDM4E (0.42) ALDH1A1MAPK1MAPTTDP1KMT2A
SCHEMBL6946833 0.76 ALDH1A1 (0.47) ALDH1A1MAPK1KCNH2GHSRNOS2
SCHEMBL108699 0.75 NOS2 (0.66) ALDH1A1MAPK1NOS2KMT2ALMNA
SCHEMBL5572824 0.74 KDM4E (0.43) ALDH1A1MAPK1MAPTTDP1KMT2A
SCHEMBL4598347 0.74 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AL3MBTL1LMNA
SCHEMBL4596178 0.74 HAO1 (0.49) ALDH1A1MAPK1MAPTL3MBTL1HSD17B10
SCHEMBL7840833 0.73 KMT2A (0.60) ALDH1A1MAPK1TDP1KMT2AL3MBTL1
SCHEMBL4140304 0.73 KDM4E (0.46) ALDH1A1KMT2AL3MBTL1HSD17B10LMNA
SCHEMBL6947314 0.73 NOS2 (0.41) ALDH1A1MAPK1KCNH2GHSRNOS2
SCHEMBL6945487 0.72 MAPK1 (0.49) ALDH1A1MAPK1NOS2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 ALDH1A1 3484/4885MAPK1 1081/4885KCNH2 4762/4885

“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.