SCHEMBL3061450

SCHEMBL3061450

COc1cc(C(=O)C=Cc2ccc(Br)cc2)ccc1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 8/20 0.85
ABCG2 Q9UNQ0 2/20 0.70
TUBB4A P04350 1/20 0.66
TUBB P07437 1/20 0.66
TUBA3C P0DPH7 1/20 0.66
TUBA1B P68363 1/20 0.66
TUBA4A P68366 1/20 0.66
TUBB4B P68371 1/20 0.66
TUBB3 Q13509 1/20 0.66
TUBB2A Q13885 1/20 0.66
TUBB8 Q3ZCM7 1/20 0.66
TUBA3E Q6PEY2 1/20 0.66
TUBA1A Q71U36 1/20 0.66
TUBA1C Q9BQE3 1/20 0.66
TUBB6 Q9BUF5 1/20 0.66
TUBB2B Q9BVA1 1/20 0.66
TUBB1 Q9H4B7 1/20 0.66
CXCR4 P61073 1/20 0.64
MAOA P21397 1/20 0.64
MAOB P27338 1/20 0.64

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
SCHEMBL3061449 1.00 CXCL12 (0.85) CXCL12ABCG2TUBB4ATUBBTUBA3C
SCHEMBL30383602 0.92 CXCL12 (1.00) CXCL12ABCG2TUBB4ATUBBTUBA3C
SCHEMBL17122432 0.92 CXCL12 (1.00) CXCL12ABCG2TUBB4ATUBBTUBA3C
SCHEMBL25195094 0.92 CXCL12 (1.00) CXCL12ABCG2TUBB4ATUBBTUBA3C
Ethane SCHEMBL25190984 0.91 CXCL12 (0.97) CXCL12ABCG2TUBB4ATUBBTUBA3C
SCHEMBL5598905 0.89 CXCL12 (0.82) CXCL12ABCG2TUBB4ATUBBTUBA3C
SCHEMBL5598901 0.89 CXCL12 (0.82) CXCL12ABCG2TUBB4ATUBBTUBA3C
SCHEMBL28906331 0.88 CXCL12 (0.85) CXCL12ABCG2TUBB4ATUBBTUBA3C
SCHEMBL11937154 0.88 CXCL12 (0.85) CXCL12ABCG2TUBB4ATUBBTUBA3C
SCHEMBL32681387 0.86 TNFRSF1A (0.79) CXCL12ABCG2TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618327-B2 Antibacterial agents and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-12-31 US disclosed
US-20120277252-A1 Antibacterial Agents and Methods of Use Thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-11-01 US disclosed
US-8227616-B2 Cyanopyridine antibacterial agents and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-10-14 US disclosed
US-7737164-B2 Cyanopyridine antibacterial agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-15 US disclosed
WO-2008016738-A2 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-02-07 WO disclosed
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-01-10 US 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 (3 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-20120277252-A1 Antibacterial Agents and Methods of Use Thereof FDPS, ABCG2, DUT CXCL12 1499/4885ABCG2 2/4885TUBB4A 1712/4885
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS PCNA, ABCG2, API5 CXCL12 2553/4885ABCG2 2/4885TUBB4A 1289/4885
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF FDPS, CYP3A5, ABCG2 CXCL12 1440/4885ABCG2 3/4885TUBB4A 1738/4885

“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.