SCHEMBL4597878

SCHEMBL4597878

Nc1ccc(Oc2ccc(CO)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
OPRM1 P35372 6/20 0.43
OPRD1 P41143 6/20 0.43
OPRK1 P41145 6/20 0.43
IL6 P05231 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BRCA1 P38398 1/20 0.42
HBB P68871 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LTA4H P09960 1/20 0.42
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL24570677 0.83 MEN1 (0.58) KDM4EMEN1KMT2ARAB9AOPRM1
SCHEMBL29873318 0.83 KDM4E (0.58) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL8019976 0.83 P2RX3 (0.48) RAB9AOPRM1OPRD1OPRK1LTA4H
SCHEMBL23361553 0.83 KDM4E (0.58) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL8007367 0.83 RAB9A (0.44) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL510046 0.83 LTA4H (0.58) OPRM1OPRD1OPRK1ALDH1A1LTA4H
SCHEMBL13452800 0.81 KDM4E (0.51) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL875954 0.81 LTA4H (0.39) KDM4EMEN1KMT2ARAB9AOPRM1
SCHEMBL7810519 0.81 KDM4E (0.59) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL20931746 0.80 KDM4E (0.79) KDM4EMEN1KMT2APOLBRAB9A

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 3689/4885MEN1 4855/4885KMT2A 4627/4885

“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.