SCHEMBL4596178

SCHEMBL4596178

Cc1cc(Oc2ccc(C=O)c(C)n2)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.49
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
STAT3 P40763 1/20 0.34
CHRNA3 P32297 1/20 0.34
PPARG P37231 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
TRIM24 O15164 1/20 0.33
TYR P14679 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL4598575 0.80 HRH3 (0.46) PPARGALDH1A1HPGD
SCHEMBL22547101 0.79 HAO1 (0.51) HAO1KDM4ESMN1; SMN2LMNAALOX15
SCHEMBL5575305 0.79 KDM4E (0.42) KDM4ESMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL4598347 0.77 ALDH1A1 (0.50) HAO1KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL5572824 0.77 KDM4E (0.43) KDM4ESMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL22529904 0.77 HAO1 (0.46) HAO1SMN1; SMN2LMNATSHRALDH1A1
SCHEMBL29352007 0.77 HAO1 (0.46) HAO1SMN1; SMN2LMNATSHRALDH1A1
SCHEMBL11993102 0.77 HAO1 (0.33) HAO1KDM4E
SCHEMBL4597718 0.76 KDM4E (0.65) HAO1KDM4ESMN1; SMN2LMNAALOX15
SCHEMBL4140304 0.76 KDM4E (0.46) KDM4ESMN1; SMN2LMNAALDH1A1L3MBTL1

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 HAO1 4393/4885KDM4E 3689/4885SMN1; SMN2 4729/4885

“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.