SCHEMBL4596719

SCHEMBL4596719

COC(=O)c1ccc(C(O)c2ccc(C)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR3 Q99500 7/20 0.42
CA7 P43166 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
S1PR4 O95977 4/20 0.40
ATM Q13315 1/20 0.40
S1PR1 P21453 5/20 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
SCHEMBL18666822 0.79 ALDH1A1 (0.47) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL29355393 0.79 ALDH1A1 (0.47) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL13600083 0.78 MAPT (0.52) TDP1CA1CA2CA12CA9
SCHEMBL4408604 0.78 CA1 (0.66) TDP1CA1CA2CA12CA9
SCHEMBL5649418 0.77 ESR1 (0.46) TDP1S1PR3KDM4ES1PR4S1PR2
SCHEMBL30910949 0.75 S1PR3 (0.44) S1PR3KDM4ERAB9AS1PR4S1PR1
SCHEMBL21831035 0.75 S1PR3 (0.44) S1PR3KDM4ERAB9AS1PR4S1PR1
SCHEMBL5657348 0.75 NOS3 (0.42) TDP1MAPTALDH1A1KMT2AS1PR3
SCHEMBL7475779 0.74 ATM (0.58) TDP1CA1CA2CA12CA9
SCHEMBL31145166 0.73 TDP1 (0.59) TDP1CA1CA2CA12CA9

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 TDP1 4587/4885CA1 3985/4885CA2 3388/4885

“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.