SCHEMBL4597726

SCHEMBL4597726

CC(C)(C)OC(=O)c1ccc(Oc2ccc(C=O)cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 1/20 0.49
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
GRN P28799 2/20 0.42
SORT1 Q99523 2/20 0.42
PARP10 Q53GL7 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 2/20 0.41
GAA P10253 1/20 0.40
HRH3 Q9Y5N1 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL4596521 0.85 KDM4E (0.65) KDM4EALDH1A1L3MBTL1LMNAPOLB
SCHEMBL8016831 0.83 KDM4E (0.66) KDM4EALDH1A1L3MBTL1LMNAPOLB
SCHEMBL14602386 0.81 KDM4E (0.59) KDM4EALDH1A1L3MBTL1LMNAPOLB
SCHEMBL4597833 0.81 ALDH1A1 (0.66) KDM4EALDH1A1L3MBTL1POLBRAB9A
SCHEMBL3696133 0.80 PARP10 (0.67) KDM4EALDH1A1L3MBTL1POLBRAB9A
SCHEMBL31621360 0.79 ALDH1A1 (0.81) KDM4EALDH1A1L3MBTL1LMNAPOLB
SCHEMBL1185621 0.79 ALDH1A1 (0.63) ALDH1A1PARP10PARP3ADRB2ADRB1
SCHEMBL19363010 0.78 KDM4E (0.70) KDM4EALDH1A1L3MBTL1LMNAPOLB
SCHEMBL4597441 0.77 ALDH1A1 (0.39) KDM4EALDH1A1L3MBTL1LMNARAB9A
SCHEMBL3701944 0.77 KDM4E (0.60) KDM4EALDH1A1L3MBTL1LMNAPOLB

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 5 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
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 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.