SCHEMBL4597718

SCHEMBL4597718

Cc1cc(Oc2ccc(C=O)cn2)ccc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
ALDH1A1 P00352 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
POLB P06746 2/20 0.52
HAO1 Q9UJM8 2/20 0.51
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
STAT3 P40763 1/20 0.39
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL16838774 0.83 KDM4E (0.65) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL2527088 0.81 ALDH1A1 (0.55) KDM4EALDH1A1L3MBTL1POLBHAO1
SCHEMBL16838773 0.81 ALDH1A1 (0.65) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL16838779 0.81 KDM4E (0.65) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL4598015 0.80 KDM4E (0.60) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL3223757 0.79 KDM4E (1.00) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL16761909 0.79 ALDH1A1 (0.71) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL31621360 0.78 ALDH1A1 (0.81) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL17752362 0.78 HAO1 (0.55) KDM4EALDH1A1L3MBTL1POLBHAO1
SCHEMBL15096329 0.77 KDM4E (0.68) KDM4EALDH1A1L3MBTL1POLBNPC1

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 KDM4E 3689/4885ALDH1A1 3484/4885L3MBTL1 3305/4885

“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.