SCHEMBL4229078

SCHEMBL4229078

CC(C)OC(=O)CCCn1ccnc1CN(Cc1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1)Cc1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.46
CTSD P07339 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM1A O60341 1/20 0.30
MAOB P27338 1/20 0.30
RCOR1 Q9UKL0 1/20 0.30

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
SCHEMBL4237781 0.93 CXCR4 (0.44) CXCR4CTSDKDM4EMEN1ALDH1A1
SCHEMBL4230314 0.92 CXCR4 (0.43) CXCR4CTSDKDM4EMEN1KMT2A
SCHEMBL4225603 0.91 CXCR4 (0.42) CXCR4CTSDKDM4EMEN1ALDH1A1
SCHEMBL4225549 0.90 CXCR4 (0.44) CXCR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4235188 0.90 CXCR4 (0.44) CXCR4KDM4EMEN1KMT2A
SCHEMBL4230426 0.88 CXCR4 (0.44) CXCR4CTSDKDM4EMEN1ALDH1A1
SCHEMBL4233793 0.87 CXCR4 (0.45) CXCR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL2694515 0.86 CXCR4 (0.44) CXCR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4223379 0.85 CXCR4 (0.42) CXCR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL2694190 0.85 CXCR4 (0.51) CXCR4KDM4EMEN1ALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618122-B2 Compound having acidic group which may be protected, and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-31 US disclosed
EP-2042503-B1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-01-30 EP disclosed
US-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO.,LTD. (JP) 2009-07-30 US disclosed
EP-2042503-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP 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-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF CXCR4, CXCR3, CXCL12 CXCR4 1/4885CTSD 2258/4885KDM4E 4632/4885

“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.