SCHEMBL174988

SCHEMBL174988

CCCCCCCCC(CCCCCCCC)c1ccnc(-c2cc(C(CCCCCCCC)CCCCCCCC)ccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
SLC2A1 P11166 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
KDM5A P29375 1/20 0.34
ADA P00813 2/20 0.34
BDKRB2 P30411 1/20 0.33
TBXAS1 P24557 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL5974098 0.93 NR1I2 (0.47) NR1I2SLC2A1GPR84CCR1CCR5
SCHEMBL175672 0.93 CCR1 (0.38) NR1I2SLC2A1GPR84CCR1CCR5
Bromide SCHEMBL2514869 0.90 CCR1 (0.35) CCR1CCR5CCR8KDM5ABDKRB2
SCHEMBL145233 0.87 CCR1 (0.33) CCR1CCR5CCR8BDKRB2
SCHEMBL3040111 0.86 NR1I2 (0.39) NR1I2CCR1CCR5CCR8KDM5A
Chloromethane SCHEMBL6909514 0.85 CYP1A2 (0.38) CCR1CCR5CCR8KDM4E
SCHEMBL25150378 0.85 UHRF1 (0.38) NR1I2SLC2A1GPR84ADABDKRB2
SCHEMBL5973792 0.85 GPR84 (0.38) NR1I2SLC2A1GPR84CCR1CCR5
SCHEMBL13039644 0.85 LNPEP (0.37) KDM4E
SCHEMBL22458264 0.83 NR1I2 (0.37) NR1I2SLC2A1GPR84ADABDKRB2

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-20120059173-A1 DENDRITIC MOLECULES THE UNIVERSITY OF QUEENSLAND (AU) 2012-03-08 US disclosed
US-7825199-B1 mediated by transition metal complex in redox reaction of atom transfer Atom Transfer Coupling Reaction to/from initiator or dormant polymer and growing active polymer chain ends; transition metal held in close conjunction with a solid support; salt containing a soluble organic counterion; styrene graft CARNEGIE MELLON UNIVERSITY (US) 2010-11-02 US disclosed
EP-2147042-A1 DENDRITIC MOLECULES The University Of Queensland (AU) 2010-01-27 EP disclosed
WO-2008141357-A1 DENDRITIC MOLECULES THE UNIVERSITY OF QUEENSLAND (AU) 2008-11-27 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-20120059173-A1 DENDRITIC MOLECULES CD40LG, CD40, TLR3 NR1I2 4212/4885SLC2A1 4655/4885GPR84 420/4885

“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.