SCHEMBL4597455

SCHEMBL4597455

COC(=O)Cc1ccc(Oc2ccc(C=O)c(C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
MMP9 P14780 1/20 0.40
TLR7 Q9NYK1 4/20 0.40
ESR1 P03372 2/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
VDR P11473 2/20 0.40
RXRA P19793 2/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
ESR2 Q92731 2/20 0.40
ENPP1 P22413 1/20 0.39
F2 P00734 1/20 0.39
GLO1 Q04760 1/20 0.39

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
SCHEMBL4128161 0.87 F2 (0.47) LMNAPPARGPPARDPPARAF2
SCHEMBL4608173 0.85 SLC7A5 (0.43) ALDH1A1NPC1RAB9ALMNATLR7
SCHEMBL13809924 0.84 ALDH1A1 (0.40) ALDH1A1ENPP1
SCHEMBL4597491 0.80 ALDH1A1 (0.53) ALDH1A1RAB9ALMNAKDM4E
SCHEMBL4598347 0.79 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL4597702 0.78 KDM4E (0.62) CYP4F2CYP4A11ALDH1A1NPC1RAB9A
SCHEMBL4140304 0.78 KDM4E (0.46) ALDH1A1LMNAESR1ESR2KDM4E
SCHEMBL3980466 0.77 TDP1 (0.44) ALDH1A1RXRAPPARGF2KDM4E
SCHEMBL5575510 0.76 PTGDR2 (0.46) ALDH1A1KDM4E
SCHEMBL5572824 0.76 KDM4E (0.43) ALDH1A1NPC1RAB9ALMNAKDM4E

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 6 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
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US 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
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 CYP4F2 3427/4885CYP4A11 1318/4885ALDH1A1 3484/4885

“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.