SCHEMBL931638

SCHEMBL931638

O=C(O)c1cccc(OC2CCCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.57
KAT6A Q92794 2/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KMO O15229 1/20 0.55
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
OPRK1 P41145 4/20 0.53
OPRM1 P35372 2/20 0.53
KCNH2 Q12809 2/20 0.53
AKR1C3 P42330 1/20 0.53
GRIK1 P39086 1/20 0.52
GRIA2 P42262 1/20 0.52
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
MAOB P27338 1/20 0.48

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
SCHEMBL9005535 1.00 EPHX2 (0.57) EPHX2KAT6AMEN1KMT2AKMO
SCHEMBL930820 1.00 EPHX2 (0.57) EPHX2KAT6AMEN1KMT2AKMO
SCHEMBL30575465 1.00 EPHX2 (0.57) EPHX2KAT6AMEN1KMT2AKMO
SCHEMBL30162751 0.98 EPHX2 (0.59) EPHX2KAT6AMEN1KMT2AKMO
SCHEMBL930213 0.98 EPHX2 (0.59) EPHX2KAT6AMEN1KMT2AKMO
SCHEMBL931435 0.95 EPHX2 (0.59) EPHX2KAT6AMEN1KMT2AKMO
SCHEMBL29505911 0.92 EPHX2 (0.65) EPHX2KAT6AMEN1KMT2AKMO
SCHEMBL17573001 0.84 HRH1 (0.60) EPHX2KAT6AMEN1KMT2AOPRK1
SCHEMBL1168318 0.84 EPHX2 (0.55) EPHX2KAT6AMEN1KMT2AKMO
SCHEMBL9005597 0.84 EPHX2 (0.58) EPHX2KAT6AMEN1KMT2APDE4A

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 6 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
EP-0579223-B1 Carboxylic acid derivatives having 5 alpha-reductase inhibitory activity MITSUBISHI CHEM CORP (JP) 1996-10-09 EP disclosed
US-5385917-A Treating androgen dependent diseases MITSUBISHI KASEI CORPORATION (JP) 1995-01-31 US disclosed
EP-0579223-A1 Carboxylic acid derivatives having 5 alpha-reductase inhibitory activity Mitsubishi Chemical Corporation (JP) 1994-01-19 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-20120183660-A1 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS TAS2R41, TAS2R42, TAS2R40 EPHX2 3910/4885KAT6A 2720/4885MEN1 3312/4885

“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.