SCHEMBL1860835

SCHEMBL1860835

OCc1cccc(C2OCCO2)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
SLC5A2 P31639 1/20 0.33
CXCR4 P61073 1/20 0.33
NOTUM Q6P988 2/20 0.32
THRB P10828 1/20 0.30
TGFBR1 P36897 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL16344813 0.76 SLC5A2 (0.37) CCR1SLC5A2NOTUMIRAK4
SCHEMBL4125325 0.76 CCR1 (0.39) CCR1IRAK4
SCHEMBL9157591 0.73 SLC5A2 (0.32) SLC5A2IRAK4
SCHEMBL29226952 0.73 DRD2 (0.50)
Bromide SCHEMBL1857098 0.73 BCHE (0.34)
SCHEMBL7026337 0.73 NSD2 (0.32)
SCHEMBL9937973 0.73 CNR2 (0.42) CCR1SLC5A2CXCR4IRAK4
SCHEMBL9938125 0.73 CNR2 (0.45) CCR1CXCR4IRAK4
SCHEMBL4346655 0.72 CHRNA7 (0.38)
SCHEMBL1854614 0.72 CCR1 (0.46) CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466176-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-06-18 US disclosed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 US disclosed
CN-101977504-A Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE SA 2011-02-16 CN disclosed
EP-2265118-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2010-12-29 EP disclosed
WO-2009115557-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-09-24 WO disclosed
EP-0946546-B1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PF MEDICAMENT (FR) 2003-06-25 EP disclosed
US-6020345-A Pyridin-2-yl-methylamine derivatives, method of preparing and application as medicine PIERRE FABRE MEDICAMENT (FR) 2000-02-01 US disclosed
EP-0946546-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1999-10-06 EP disclosed
WO-1998022459-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-05-28 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-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD CCR1 3248/4885SLC5A2 1957/4885CXCR4 4483/4885

“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.