SCHEMBL2865011

SCHEMBL2865011

O=C(O)c1ccccc1Oc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.58
HTT P42858 1/20 0.56
SCN8A Q9UQD0 2/20 0.51
SCN10A Q9Y5Y9 2/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49

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
SCHEMBL28411450 0.92 CTNNB1 (0.66) CTNNB1HTTALDH1A1HPGDKDM4E
SCHEMBL8674779 0.90 CTNNB1 (0.56) CTNNB1HTTALDH1A1
SCHEMBL9252102 0.89 CTNNB1 (0.67) CTNNB1HTTALDH1A1HPGDKDM4E
SCHEMBL1798 0.88 CTNNB1 (0.71) CTNNB1HTTALDH1A1HPGDKDM4E
SCHEMBL11875755 0.86 CTNNB1 (0.69) CTNNB1HTTALDH1A1HPGDKDM4E
Bicarbonate SCHEMBL21517637 0.86 CTNNB1 (0.69) CTNNB1HTTALDH1A1HPGDKDM4E
SCHEMBL8496446 0.86 CTNNB1 (0.69) CTNNB1HTTALDH1A1HPGDKDM4E
Bicarbonate SCHEMBL236889 0.86 CTNNB1 (0.69) CTNNB1HTTALDH1A1HPGDKDM4E
SCHEMBL4129945 0.86 CTNNB1 (0.69) CTNNB1HTTALDH1A1HPGDKDM4E
SCHEMBL11407865 0.86 CTNNB1 (0.69) CTNNB1HTTALDH1A1HPGDKDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118546106-A Phenoxy benzamide derivative containing substituted oxadiazole, preparation method and application thereof 宁夏大学 2024-08-27 CN disclosed
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-7582664-B2 Acylaminothiazole derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-01 US disclosed
US-5216178-A Contacting with alkaline earth metal and lower alkanol HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-06-01 US disclosed
US-5140027-A Antidepressants, analgesics and anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-08-18 US disclosed
US-4943571-A ANALGESICS, ANTICONVULSANTS, ANTIDEPRESSANTS HOECHST-ROUSSEL PHAMRACEUTICALS INC. (US) 1990-07-24 US disclosed
US-4837227-A ANALGESICS, ANTIDEPRESSANTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-06-06 US disclosed
EP-0016261-B1 SPIRO(DIBENZ(B,F)OXEPIN-PIPERIDINES) AND METHODS OF PREPARING SAME HOECHST AKTIENGESELLSCHAFT (DE) 1982-12-29 EP disclosed
EP-0002508-B1 AMINOALKYLTHIODIBENZOXEPINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-31 EP disclosed
EP-0016261-A1 Spiro(dibenz(b,f)oxepin-piperidines) and methods of preparing same HOECHST AKTIENGESELLSCHAFT (DE) 1980-10-01 EP disclosed
US-4198418-A ANALGESICS, TRANQUILIZERS, ANTICONVULSANTS AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed
US-4198417-A ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed
EP-0002508-A1 Aminoalkylthiodibenzoxepines, their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-27 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-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS TAS2R10, TAS2R41, TAS2R30 CTNNB1 4794/4885HTT 2197/4885SCN8A 457/4885

“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.