SCHEMBL4609795

SCHEMBL4609795

Cc1nc(Oc2ccc(SCC(=O)OC(C)(C)C)cc2)ccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
GLA P06280 2/20 0.38
KDM4E B2RXH2 4/20 0.34
HPGD P15428 5/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL4597297 0.83 PTPN1 (0.40) ALDH1A1KDM4EGAAHSD17B10LMNA
SCHEMBL4597441 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EGAALMNAMAPT
SCHEMBL3888942 0.72 NPC1 (0.50) ALDH1A1GLAKDM4EGAALMNA
SCHEMBL4140304 0.72 KDM4E (0.46) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL19386035 0.72 NPC1 (0.47) ALDH1A1HPGDGAATP53MAPT
SCHEMBL4597455 0.72 CYP4F2 (0.42) ALDH1A1KDM4ELMNANPC1
SCHEMBL3980466 0.72 TDP1 (0.44) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL4597860 0.71 GAA (0.38) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL5575510 0.71 PTGDR2 (0.46) ALDH1A1KDM4ESMN1; SMN2EGLN1
SCHEMBL4128161 0.71 F2 (0.47) KDM4ELMNAEGLN1

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 6 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
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 3484/4885GLA 4694/4885KDM4E 3689/4885

“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.