SCHEMBL16937232

SCHEMBL16937232

O=C1CCCC(=O)C1c1cccc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.55
TNKS2 Q9H2K2 1/20 0.53
KCNH2 Q12809 1/20 0.53
MAOB P27338 6/20 0.53
MAOA P21397 3/20 0.52
GRIN1 Q05586 3/20 0.50
SIRT1 Q96EB6 1/20 0.49
KDM1A O60341 1/20 0.49
NR4A2 P43354 1/20 0.49
GRM5 P41594 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
SCHEMBL16937202 0.84 OPRM1 (0.53) TNKS2KCNH2MAOBMAOA
SCHEMBL403344 0.78 MAOB (0.53) HPDMAOBMAOAGRM5
SCHEMBL6588487 0.78 SPHK1 (0.55) TNKS2KCNH2MAOBMAOAGRIN1
SCHEMBL6583023 0.78 SPHK1 (0.58) TNKS2KCNH2MAOBMAOAGRIN1
SCHEMBL9419127 0.78 GRIN1 (0.48) HPDTNKS2KCNH2MAOBMAOA
SCHEMBL6583019 0.77 MAOB (0.56) TNKS2KCNH2MAOBMAOAGRIN1
SCHEMBL24461308 0.77 GRIN1 (0.50) HPDTNKS2KCNH2MAOBMAOA
SCHEMBL12354455 0.77 SPHK1 (0.60) TNKS2KCNH2MAOBMAOAKDM1A
SCHEMBL12971911 0.77 KDM1A (0.58) KCNH2MAOBMAOAGRIN1KDM1A
SCHEMBL10352954 0.77 KCNH2 (0.50) TNKS2KCNH2MAOBSIRT1NR4A2

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
CN-107074801-B Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclenones as antioxidant inflammatory modulators 里亚塔医药公司 2021-11-05 CN disclosed
EP-3097089-B1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS INC (US) 2021-02-24 EP disclosed
EP-3097089-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS AbbVie Inc. (US) 2016-11-30 EP disclosed
US-9464082-B2 Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclic enones as antioxidant inflammation modulators ABBVIE INC. (US) 2016-10-11 US disclosed
US-20150225397-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. 2015-08-13 US disclosed
WO-2015112792-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS ABBVIE INC. (US) 2015-07-30 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-20150225397-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS GPX4, TXN2, MPO HPD 1571/4885TNKS2 2294/4885KCNH2 3104/4885

“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.