SCHEMBL4597217

SCHEMBL4597217

CC(=O)Oc1ccc(Oc2ccc(CBr)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.44
ACACA Q13085 5/20 0.44
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 2/20 0.41
LIPE Q05469 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GRN P28799 1/20 0.39
SORT1 Q99523 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
SCHEMBL8023066 0.80 RAB9A (0.44) LIPEKDM4E
SCHEMBL23361429 0.80 KDM4E (0.58) OPRM1OPRD1OPRK1LIPEKDM4E
SCHEMBL868628 0.79 LMNA (0.57) KDM4ELMNA
SCHEMBL4596357 0.79 LMNA (0.59) ACACBLIPEKDM4ELMNA
SCHEMBL8025063 0.79 PDE4B (0.49) OPRM1OPRD1OPRK1KDM4ELMNA
SCHEMBL8026494 0.77 L3MBTL1 (0.44) LIPEKDM4E
SCHEMBL4536002 0.77 LTA4H (0.45) ACACBOPRM1OPRD1OPRK1GRN
SCHEMBL4597944 0.74 GAA (0.62) LMNA
Acetic Acid SCHEMBL29276422 0.74 NNMT (0.47) ACACBKDM4ELMNA
SCHEMBL4597520 0.74 OPRM1 (0.52) OPRM1LMNA

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 ACACB 1442/4885ACACA 1135/4885OPRM1 205/4885

“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.