SCHEMBL4592648

SCHEMBL4592648

COc1ccc(CB(O)O)c(CO)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HSD17B10 Q99714 1/20 0.40
APLNR P35414 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
IDO1 P14902 2/20 0.39
ADRA1A P35348 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ENPP2 Q13822 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38

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
SCHEMBL2061056 0.85 KDM4E (0.50) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL13221006 0.79 HSD17B10 (0.47) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL4592551 0.79 KDM1A (0.42) APLNRADRA1ATAAR1POLB
SCHEMBL29958385 0.78 ENPP2 (0.45) KDM4EALDH1A1HSD17B10CYP11B1CYP11B2
SCHEMBL2319853 0.78 ENPP2 (0.45) KDM4EALDH1A1HSD17B10CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8068252 0.76 ADRA1A (0.47) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL16952197 0.76 KDM4E (0.44) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL15935626 0.76 POLB (0.49) KDM4EALDH1A1HSD17B10APLNRCYP11B1
SCHEMBL26768678 0.75 BAZ2B (0.56) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL8129995 0.74 KDM4E (0.45) KDM4EALDH1A1HSD17B10APLNRCYP11B1

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
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US disclosed
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 EP disclosed
EP-1739078-A1 Antagonists of C5a-receptor Jerini AG (DE) 2007-01-03 EP disclosed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 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-20080220003-A1 C5a Receptor Antagonists C3AR1, C5AR2, C5AR1 KDM4E 2972/4885ALDH1A1 3680/4885PDE4A 4414/4885

“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.