SCHEMBL4598259

SCHEMBL4598259

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 6/20 0.34
MITF O75030 1/20 0.34
MAPK14 Q16539 3/20 0.34
MAPK11 Q15759 2/20 0.34
HPGD P15428 5/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KMT2A Q03164 3/20 0.33

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 0.81 RXFP1 (0.38) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4597346 0.80 SMN1; SMN2 (0.36) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL15698679 0.68 KDM4E (0.45) MAPTSMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL5572439 0.67 ALDH1A1 (0.40) MAPTL3MBTL1KDM4EKMT2AMEN1
SCHEMBL4597157 0.65 ALDH1A1 (0.46) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL14838602 0.65 CA1 (0.49) MAPTSMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL14370840 0.65 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9580663 0.64 CA12 (0.48) MAPTSMN1; SMN2L3MBTL1KDM4EHPGD
SCHEMBL25678234 0.64 HPGD (0.44) MAPTSMN1; SMN2L3MBTL1KDM4EHPGD
SCHEMBL28861488 0.64 MAPT (0.47) MAPTRAB9ASMN1; SMN2L3MBTL1KDM4E

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 MAPT 3432/4885NPC1 473/4885RAB9A 2707/4885

“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.