SCHEMBL3221879

SCHEMBL3221879

COc1ccc(OCc2ccc(C(=[N+]=[N-])c3ccccc3)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
RXRA P19793 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMPD1 P17405 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPK1 P28482 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44

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
Diethylamine SCHEMBL5827555 0.91 ALDH1A1 (0.47) ATML3MBTL1MAPTALDH1A1LMNA
SCHEMBL5827554 0.88 TDP1 (0.42) ATML3MBTL1MAPTALDH1A1LMNA
SCHEMBL3212278 0.83 ATM (0.72) ATML3MBTL1MAPTALDH1A1LMNA
SCHEMBL2090976 0.76 MAOB (0.62) L3MBTL1MAPTALDH1A1LMNAALOX12
SCHEMBL18623122 0.76 MAOB (0.62) L3MBTL1MAPTALDH1A1LMNAALOX12
Diethylamine SCHEMBL3227780 0.75 ALDH1A1 (0.49) L3MBTL1MAPTALDH1A1LMNARXRA
SCHEMBL3227770 0.75 MAOB (0.45) RXRASMN1; SMN2F2
SCHEMBL11301982 0.74 CES2 (0.58) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9047043 0.73 SRD5A2 (0.65) ATML3MBTL1MAPTALDH1A1LMNA
SCHEMBL19712578 0.71 MAOB (0.55) L3MBTL1MAPTALDH1A1LMNAALOX12

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 10 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
EP-2054465-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2009-05-06 EP claimed
WO-2008023170-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2008-02-28 WO 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
EP-1124791-A1 SURFACE FUNCTIONALISATION ISIS INNOVATION LIMITED (GB) 2001-08-22 EP disclosed
WO-2000026180-A1 SURFACE FUNCTIONALISATION ISIS INNOVATION LIMITED (GB) 2000-05-11 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-20100068783-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ITGB2, ITGA2B, ITGB1 ATM 1852/4885L3MBTL1 656/4885MAPT 3988/4885

“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.