SCHEMBL2854877

SCHEMBL2854877

Cc1ccccc1Oc1cccc(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.67
▸ PPARG P37231 1/20 0.58
▸ HPGD P15428 1/20 0.57
▸ MRGPRX4 Q96LA9 1/20 0.56
▸ GCK P35557 1/20 0.55
▸ TTR P02766 2/20 0.53
▸ KMO O15229 1/20 0.53
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ MITF O75030 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ KLF5 Q13887 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LPAR1 Q92633 2/20 0.51
▸ LPAR5 Q9H1C0 2/20 0.51
▸ KMT2A Q03164 1/20 0.50
▸ FFAR1 O14842 1/20 0.50

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
SCHEMBL1042630 0.88 AKR1C3 (0.79) AKR1C3MRGPRX4TTRKMONPC1
SCHEMBL29466776 0.88 AKR1C3 (0.79) AKR1C3MRGPRX4TTRKMONPC1
Hydrochloric Acid SCHEMBL8434547 0.86 AKR1C3 (0.76) AKR1C3PPARGMRGPRX4TTRKMO
Hydrochloric Acid SCHEMBL8434544 0.86 AKR1C3 (0.76) AKR1C3PPARGMRGPRX4TTRKMO
SCHEMBL13687491 0.86 PARP10 (0.59) AKR1C3PPARGHPGDGCKFFAR1
SCHEMBL9005664 0.84 MRGPRX4 (0.60) AKR1C3PPARGMRGPRX4TTRKMO
SCHEMBL2867555 0.84 TTR (0.69) AKR1C3PPARGMRGPRX4GCKTTR
SCHEMBL2001929 0.83 AKR1C3 (0.66) AKR1C3MRGPRX4KMONPC1RAB9A
SCHEMBL27818369 0.82 AKR1C3 (0.69) AKR1C3MRGPRX4TTRKMONPC1
SCHEMBL921873 0.82 AKR1C3 (0.69) AKR1C3MRGPRX4TTRKMOKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109562185-A Novel conjugates of agents and moieties capable of binding to glucose-sensing proteins 赛诺菲 2019-04-02 — — 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
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
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 — — 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 AKR1C3 3307/4885PPARG 1773/4885HPGD 2593/4885

“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.

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