SCHEMBL3408895

SCHEMBL3408895

O=C(O)N[C@H](CO)CCCCOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.46
MMP8 P22894 4/20 0.46
MMP1 P03956 4/20 0.46
MMP9 P14780 3/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FOLH1 Q04609 1/20 0.43
EPHX2 P34913 2/20 0.43
GBA1 P04062 2/20 0.40
UGCG Q16739 2/20 0.40
GBA2 Q9HCG7 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL3407618 1.00 MMP3 (0.46) MMP3MMP8MMP1MMP9HTT
SCHEMBL3354066 0.90 SMN1; SMN2 (0.47) HTTSMN1; SMN2FOLH1CYP3A4MAPK1
SCHEMBL13040196 0.84 PPARA (0.56) MMP3MMP8MMP1MMP9L3MBTL1
SCHEMBL27725038 0.84 PPARA (0.56) MMP3MMP8MMP1MMP9L3MBTL1
SCHEMBL6119160 0.83 MMP3 (0.49) MMP3MMP8MMP1MMP9HTT
SCHEMBL5470004 0.81 FOLH1 (0.48) MMP9HTTSMN1; SMN2FOLH1CYP3A4
SCHEMBL2228752 0.81 FOLH1 (0.48) MMP9HTTSMN1; SMN2FOLH1CYP3A4
SCHEMBL15716271 0.81 FOLH1 (0.48) MMP9HTTSMN1; SMN2FOLH1CYP3A4
SCHEMBL2678443 0.80 EPHX2 (0.49) MMP3MMP8MMP1EPHX2
SCHEMBL4906710 0.80 TRPA1 (0.49) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-04 US disclosed
EP-2226325-A1 PROCESS FOR PRODUCTION OF 4-(SUBSTITUTED PHENYL)HEXAHYDROPYRIDOÝ2,1-C¨Ý1,4¨OXAZIN-6-ONE Eisai R&D Management Co., Ltd. (JP) 2010-09-08 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-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE PSEN1, APP, BACE1 MMP3 3171/4885MMP8 4399/4885MMP1 3081/4885

“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.