SCHEMBL3207192

SCHEMBL3207192

[N-]=[N+]=C(c1ccccc1)c1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
LTA4H P09960 1/20 0.44
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
VHL P40337 1/20 0.35
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35
SNCA P37840 2/20 0.35
KIF11 P52732 1/20 0.34
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TTR P02766 1/20 0.33
LMNA P02545 1/20 0.33
PTGS2 P35354 1/20 0.33
HDAC1 Q13547 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
SCHEMBL7116056 0.85 CES2 (0.43) TSHRCES2CES1LMNAPTGS2
SCHEMBL81262 0.82 CES1 (0.41) TSHRPRSS1PRSS2PRSS3CES2
Methylene Chloride SCHEMBL8625445 0.79 ALDH1A1 (0.43) TSHRCES2CES1LMNAPTGS2
SCHEMBL10180676 0.77 PGK1 (0.44) TSHRCES2CES1
SCHEMBL24854680 0.76 TSHR (0.62) TSHRLTA4HPRSS1PRSS2PRSS3
SCHEMBL28849773 0.76 TSHR (0.62) TSHRLTA4HPRSS1PRSS2PRSS3
SCHEMBL24854649 0.76 TSHR (0.62) TSHRLTA4HPRSS1PRSS2PRSS3
SCHEMBL10782051 0.75 CES2 (0.54) TSHRCES2CES1PTGS2NPC1
SCHEMBL10783782 0.75 CES2 (0.54) TSHRCES2CES1LMNAPTGS2
SCHEMBL10187827 0.75 CES2 (0.36) TSHRCES2CES1PTGS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530212-B2 Carbene precursor compound for producing an adhesive surface on a substrate ISIS INNOVATION LIMITED (GB) 2013-09-10 US claimed
CN-101558106-B Control of surface properties by chemical modification ISIS INNOVATION 2012-10-17 CN claimed
EP-2054465-B1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION (GB) 2012-07-11 EP claimed
US-20100068783-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2010-03-18 US claimed
CN-101558106-A Control of surface properties by chemical modification ISIS INNOVATION (GB) 2009-10-14 CN 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-8530212-B2 Carbene precursor compound for producing an adhesive surface on a substrate ISIS INNOVATION LIMITED (GB) 2013-09-10 US disclosed
CN-101558106-B Control of surface properties by chemical modification ISIS INNOVATION 2012-10-17 CN disclosed
EP-2054465-B1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION (GB) 2012-07-11 EP disclosed
US-20100068783-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2010-03-18 US disclosed
CN-101558106-A Control of surface properties by chemical modification ISIS INNOVATION (GB) 2009-10-14 CN 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

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 TSHR 3419/4885LTA4H 438/4885PRSS1 3630/4885

“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.