SCHEMBL3387068

SCHEMBL3387068

O=C(O)C(=CC1CCOCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
PHGDH O43175 1/20 0.44
CES1 P23141 2/20 0.42
CES2 O00748 1/20 0.42
SRD5A2 P31213 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GCK P35557 1/20 0.40
AKR1C3 P42330 1/20 0.39
POLB P06746 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3387063 1.00 TDP1 (0.45) TDP1PHGDHCES1CES2SRD5A2
SCHEMBL2665988 0.88 GCK (0.39) PHGDHGCK
SCHEMBL3390564 0.80 NPC1 (0.41) PHGDHCES1CES2CA1CA2
SCHEMBL2665989 0.80 GCK (0.41) GCK
SCHEMBL3390559 0.80 NPC1 (0.41) PHGDHCES1CES2CA1CA2
SCHEMBL2650569 0.78 GCK (0.61) GCKAKR1C3
SCHEMBL2652352 0.78 GCK (0.61) GCKAKR1C3
SCHEMBL2652182 0.78 GCK (0.47) GCKAKR1C3
SCHEMBL2652180 0.78 GCK (0.47) GCKAKR1C3
SCHEMBL2651597 0.77 GCK (0.72) TDP1KDM4EMAPTALDH1A1GCK

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
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US 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-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS IAPP, GPR119, SLC5A1 TDP1 2995/4885PHGDH 1184/4885CES1 185/4885

“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.