SCHEMBL931435

SCHEMBL931435

O=C(O)c1cccc(OC2CCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.59
KAT6A Q92794 2/20 0.55
AKR1C3 P42330 1/20 0.54
GRIK1 P39086 1/20 0.53
GRIA2 P42262 1/20 0.53
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
OPRK1 P41145 4/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PARP10 Q53GL7 1/20 0.50
KMO O15229 1/20 0.49
OPRM1 P35372 1/20 0.48
KCNH2 Q12809 1/20 0.48
PKM P14618 1/20 0.48
NR4A2 P43354 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL30162751 0.97 EPHX2 (0.59) EPHX2KAT6AAKR1C3GRIK1GRIA2
SCHEMBL930213 0.97 EPHX2 (0.59) EPHX2KAT6AAKR1C3GRIK1GRIA2
SCHEMBL931638 0.95 EPHX2 (0.57) EPHX2KAT6AAKR1C3GRIK1GRIA2
SCHEMBL9005535 0.95 EPHX2 (0.57) EPHX2KAT6AAKR1C3GRIK1GRIA2
SCHEMBL30575465 0.95 EPHX2 (0.57) EPHX2KAT6AAKR1C3GRIK1GRIA2
SCHEMBL930820 0.95 EPHX2 (0.57) EPHX2KAT6AAKR1C3GRIK1GRIA2
SCHEMBL29505911 0.93 EPHX2 (0.65) EPHX2KAT6AAKR1C3GRIK1GRIA2
SCHEMBL17573001 0.86 HRH1 (0.60) EPHX2KAT6AAKR1C3GRIK1GRIA2
SCHEMBL9005597 0.86 EPHX2 (0.58) EPHX2KAT6AAKR1C3GRIK1GRIA2
SCHEMBL1168318 0.86 EPHX2 (0.55) EPHX2KAT6AAKR1C3GRIK1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120183660-A1 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS SENOMYX, INC. (US) 2012-07-19 US disclosed
EP-2448944-A2 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS Senomyx, Inc. (US) 2012-05-09 EP disclosed
WO-2011002871-A2 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS SENOMYX, INC (US) 2011-01-06 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-20120183660-A1 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS TAS2R41, TAS2R42, TAS2R40 EPHX2 3910/4885KAT6A 2720/4885AKR1C3 2334/4885

“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.