SCHEMBL4040703

SCHEMBL4040703

O=C(O)CC1COc2ccccc2C1=O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.66
SIGMAR1 Q99720 2/20 0.54
CYP19A1 P11511 9/20 0.54
HTR1A P08908 1/20 0.51
HDAC1 Q13547 1/20 0.48
PPARG P37231 4/20 0.47
PPARD Q03181 4/20 0.47
FFAR1 O14842 2/20 0.43
PPARA Q07869 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL13378964 0.86 MAOB (0.60) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL5861986 0.82 MAOB (0.56) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL12164223 0.82 MAOB (0.67) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL8581165 0.81 MAOB (0.43) MAOBHDAC1PPARGPPARDFFAR1
SCHEMBL25082599 0.80 MAOB (0.53) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL203850 0.80 PPARG (0.62) PPARGPPARDFFAR1PPARA
SCHEMBL204961 0.80 PPARG (0.62) PPARGPPARDFFAR1PPARA
SCHEMBL12615157 0.79 MAOB (0.63) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL29478296 0.79 MAOB (1.00) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL2400347 0.79 MAOB (1.00) MAOBSIGMAR1CYP19A1HTR1AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP disclosed
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 US disclosed
US-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-12-04 US disclosed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 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 (2 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-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof GRIK1, GRIK3, GRIK2 MAOB 1856/4885SIGMAR1 98/4885CYP19A1 1966/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 MAOB 1378/4885SIGMAR1 82/4885CYP19A1 1705/4885

“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.