SCHEMBL4597346

SCHEMBL4597346

COC(=O)c1ccc(Sc2ccc(CO)c(C)n2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HPGD P15428 6/20 0.36
HSD17B10 Q99714 4/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 6/20 0.35
MITF O75030 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK14 Q16539 2/20 0.34
MAPK11 Q15759 1/20 0.34
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 3/20 0.34

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
SCHEMBL4597623 0.82 RXFP1 (0.38) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL4598259 0.80 MAPT (0.36) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL4598728 0.77 MEN1 (0.33) MAPTL3MBTL1LMNATP53MEN1
SCHEMBL3508267 0.69 GAA (0.48) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL5572439 0.68 ALDH1A1 (0.40) MAPTL3MBTL1KDM4ELMNAALDH1A1
SCHEMBL25678234 0.67 HPGD (0.44) SMN1; SMN2MAPTL3MBTL1HPGDHSD17B10
SCHEMBL498143 0.67 CA12 (0.52) SMN1; SMN2MAPTL3MBTL1HPGDHSD17B10
SCHEMBL4597157 0.66 ALDH1A1 (0.46) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL14370840 0.66 NPC1 (0.51) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL20139847 0.65 PDGFRB (0.47) MAPTHPGDHSD17B10TSHRKDM4E

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 SMN1; SMN2 4729/4885MAPT 3432/4885NPC1 473/4885

“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.