SCHEMBL2864968

SCHEMBL2864968

O=C(O)c1ccccc1Oc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.50
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
SLC1A5 Q15758 1/20 0.48
PTGER4 P35408 1/20 0.46
PTGER2 P43116 1/20 0.46
CCR2 P41597 1/20 0.46
DHODH Q02127 1/20 0.46
HTR1A P08908 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL30775056 1.00 CTNNB1 (0.51) CTNNB1KDM4EPOLBHTTF7
SCHEMBL28560551 0.88 KDM4E (0.63) CTNNB1KDM4EPOLBHTTF7
SCHEMBL28264707 0.86 KDM4E (0.61) CTNNB1KDM4EPOLBHTTF7
SCHEMBL24631538 0.86 KMT2A (0.50) CTNNB1KDM4EPOLBALDH1A1SLC1A5
SCHEMBL30748241 0.86 KMT2A (0.50) CTNNB1KDM4EPOLBALDH1A1SLC1A5
SCHEMBL4112011 0.83 SCN8A (0.55) CTNNB1KDM4EPOLBPTGER4PTGER2
SCHEMBL2865011 0.83 CTNNB1 (0.58) CTNNB1KDM4EHTTALDH1A1
SCHEMBL1798 0.82 CTNNB1 (0.71) CTNNB1KDM4EHTTALDH1A1
SCHEMBL742799 0.82 CTNNB1 (0.53) CTNNB1KDM4EPOLBHTTF7
SCHEMBL30975119 0.82 CTNNB1 (0.53) CTNNB1KDM4EPOLBHTTF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164517-A Phenoxybenzamide derivative containing substituted pyrazole, preparation method and application thereof 西北农林科技大学 2023-12-05 CN disclosed
CN-102083836-B Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX INC 2015-01-28 CN disclosed
US-20130295261-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. (US) 2013-11-07 US disclosed
US-8420145-B2 Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2013-04-16 US disclosed
CN-102083836-A Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX INC 2011-06-01 CN disclosed
EP-2254891-A2 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS Senomyx, Inc. (US) 2010-12-01 EP disclosed
WO-2009111447-A2 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. (US) 2009-09-11 WO disclosed
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. 2009-09-03 US disclosed
US-4198421-A ANTIARTHRITIC E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-15 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-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS TAS2R10, TAS2R41, TAS2R30 CTNNB1 4794/4885KDM4E 2993/4885POLB 3874/4885

“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.