SCHEMBL4597157

SCHEMBL4597157

COC(=O)c1ccc(Sc2ccc(C=O)c(C)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
ERN1 O75460 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 6/20 0.42
HPGD P15428 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 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
SCHEMBL4597623 0.85 RXFP1 (0.38) ALDH1A1ERN1KDM4EHPGDRXFP1
SCHEMBL4596529 0.85 TYMS (0.44) ALDH1A1ERN1TDP1KDM4EHPGD
SCHEMBL4596971 0.81 CYP4F2 (0.41) ALDH1A1HPGDMAPTMAPK1GAA
SCHEMBL4597190 0.80 HAO1 (0.44) ALDH1A1ERN1MAPTLMNACYP1A2
SCHEMBL5575494 0.78 NPC1 (0.37) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL25219245 0.76 KDM4E (0.48) ALDH1A1TDP1KDM4EHPGDMEN1
SCHEMBL4598186 0.76 ALDH1A1 (0.58) ALDH1A1TDP1KDM4EHPGDKMT2A
SCHEMBL4598185 0.75 NR4A1 (0.41) ALDH1A1HPGDRXFP1MAPTLMNA
SCHEMBL4597491 0.74 ALDH1A1 (0.53) ALDH1A1ERN1TDP1KDM4EKMT2A
SCHEMBL6575703 0.74 CA1 (0.61) ALDH1A1TDP1KDM4EHPGDMEN1

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 5 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

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 ALDH1A1 3484/4885ERN1 2682/4885TDP1 4587/4885

“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.