SCHEMBL4598256

SCHEMBL4598256

COCOCc1ccc(Sc2ccc(C(=O)OC)c(C)c2)nc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HSD17B10 Q99714 3/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TSHR P16473 1/20 0.33
MITF O75030 1/20 0.32
MAPK14 Q16539 3/20 0.32
MAPK11 Q15759 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SCD O00767 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL4597346 0.85 SMN1; SMN2 (0.36) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4598334 0.81 MEN1 (0.32) MEN1KMT2A
SCHEMBL4597623 0.78 RXFP1 (0.38) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4598259 0.76 MAPT (0.36) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5572439 0.64 ALDH1A1 (0.40) KDM4EMAPTL3MBTL1HTTALDH1A1
SCHEMBL25678234 0.64 HPGD (0.44) KDM4ESMN1; SMN2HPGDMAPTL3MBTL1
SCHEMBL4598728 0.63 MEN1 (0.33) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL4597157 0.62 ALDH1A1 (0.46) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13162022 0.62 CA12 (0.47) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14370840 0.62 NPC1 (0.51) KDM4ENPC1RAB9ASMN1; SMN2HPGD

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 KDM4E 3689/4885NPC1 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.