SCHEMBL3227770

SCHEMBL3227770

CCN(CC)c1cccc(OCc2ccc(C(=[N+]=[N-])c3ccccc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
BCHE P06276 3/20 0.44
APP P05067 1/20 0.44
NR4A2 P43354 4/20 0.44
KMT2A Q03164 1/20 0.43
SRD5A2 P31213 1/20 0.43
NOX1 Q9Y5S8 1/20 0.42
F2 P00734 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5827554 0.91 TDP1 (0.42) MAOBAPPKMT2ANOX1RXRA
SCHEMBL3227881 0.84 SRD5A2 (0.61) MAOBNR4A2KMT2ASRD5A2NOX1
SCHEMBL10592238 0.82 BCHE (0.61) MAOBBCHEAPPNR4A2NOX1
Diethylamine SCHEMBL3227780 0.78 ALDH1A1 (0.49) MAOBBCHEAPPNR4A2KMT2A
SCHEMBL6715345 0.77 ALDH1A1 (0.46) MAOBKMT2ANOX1TSHRSMN1; SMN2
SCHEMBL1886413 0.76 TSHR (0.37) KMT2ANOX1TSHR
SCHEMBL11670600 0.76 MAOB (0.56) MAOBBCHENR4A2KMT2ASRD5A2
SCHEMBL3221879 0.75 ATM (0.50) F2RXRASMN1; SMN2
SCHEMBL10592227 0.74 BCHE (0.54) MAOBBCHENOX1TSHRSMN1; SMN2
SCHEMBL11677532 0.73 BCHE (0.53) MAOBBCHEAPPNOX1

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-20100068783-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2010-03-18 US claimed
US-7034129-B2 Process for surface functionalsation of polymeric substrates using diaryl carbenes as reactive intermediates ISIS INNOVATION LIMITED (GB) 2006-04-25 US claimed
US-8530212-B2 Carbene precursor compound for producing an adhesive surface on a substrate ISIS INNOVATION LIMITED (GB) 2013-09-10 US disclosed
US-20100068783-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2010-03-18 US disclosed
EP-2054465-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2009-05-06 EP disclosed
WO-2008023170-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2008-02-28 WO disclosed
EP-1124791-B1 SURFACE FUNCTIONALISATION ISIS INNOVATION (GB) 2005-01-12 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-20100068783-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ITGB2, ITGA2B, ITGB1 MAOB 37/4885BCHE 925/4885APP 3319/4885

“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.