SCHEMBL4597702

SCHEMBL4597702

COC(=O)Cc1ccc(Oc2ccc(C=O)cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.46
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ACACB O00763 4/20 0.44
ACACA Q13085 2/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL3142591 0.83 KDM4E (0.52) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL4596521 0.81 KDM4E (0.65) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL30879467 0.80 KDM4E (0.72) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL16838781 0.80 KDM4E (0.72) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL8016820 0.80 KDM4E (0.77) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL645184 0.80 CYP4F2 (0.59) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL31621360 0.80 ALDH1A1 (0.81) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL3143413 0.79 GAA (0.61) ALDH1A1L3MBTL1NPC1RAB9ALMNA
SCHEMBL4597455 0.78 CYP4F2 (0.42) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL16838783 0.78 KDM4E (0.68) KDM4EALDH1A1L3MBTL1NPC1RAB9A

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.