SCHEMBL4598015

SCHEMBL4598015

Cc1cc(Oc2ccc(C=O)cn2)ccc1C#N

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 2/20 0.49
ESRRA P11474 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC22A12 Q96S37 2/20 0.41
GAA P10253 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
AR P10275 4/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL4597718 0.80 KDM4E (0.65) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL16838774 0.80 KDM4E (0.65) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL6198763 0.78 L3MBTL1 (0.66) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL4598575 0.78 HRH3 (0.46) ALDH1A1ESRRASLC22A12MRGPRX4AR
SCHEMBL16838773 0.77 ALDH1A1 (0.65) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL16838779 0.77 KDM4E (0.65) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL4597870 0.77 ALDH1A1 (0.60) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL3163774 0.76 ALDH1A1 (0.61) KDM4EALDH1A1L3MBTL1POLBHRH3
SCHEMBL3223757 0.76 KDM4E (1.00) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL4718693 0.76 HRH3 (0.38) KDM4EL3MBTL1ESRRASLC22A12MRGPRX4

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 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.