SCHEMBL2423528

SCHEMBL2423528

CCCCC1(c2ccccc2)C=CC=CC1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.36
OPRL1 P41146 4/20 0.36
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ELANE P08246 1/20 0.31
SLC10A2 Q12908 3/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
CSNK1E P49674 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL28040037 0.79 GAA (0.37) SMN1; SMN2
SCHEMBL3344044 0.76 MEN1 (0.33) OPRM1OPRL1MMP2MMP3MMP9
SCHEMBL16937436 0.74 LMNA (0.32)
SCHEMBL6548185 0.73 KDM1A (0.33)
SCHEMBL10640077 0.72 KDM1A (0.32)
SCHEMBL28846306 0.72 OPRM1 (0.35) OPRM1OPRL1MMP2MMP3MMP9
SCHEMBL30777406 0.72
SCHEMBL21412875 0.72
SCHEMBL28485724 0.72 HSD11B1 (0.34) MMP2MMP3MMP9
SCHEMBL28628019 0.70 TSHR (0.31) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026398-B2 Catalysts comprising a combination of oxidized metals and a method for cleaving phenylalkyl hydroperoxides using the catalysts SHELL OIL COMPANY 2011-09-27 US disclosed
US-20100063326-A1 CATALYSTS COMPRISING A COMBINATION OF OXIDIZED METALS AND A METHOD FOR CLEAVING PHENYLALKYL HYDROPEROXIDES USING THE CATALYSTS SHELL OIL COMPANY 2010-03-11 US disclosed
EP-1915357-A1 2-HYDROXY-PROPIONIC ACID DERIVATIVES AND 3-HYDROXY-BENZOFURAN-2-ONE DERIVATIVES WITH AFFINITY FOR THE GABA-B-RECEPTOR F. Hoffmann-Roche AG (CH) 2008-04-30 EP disclosed
WO-2007137021-A2 CATALYSTS COMPRISING A COMBINATION OF OXIDIZED METALS AND A METHOD FOR CLEAVING PHENYLALKYL HYDROPEROXIDES USING THE CATALYSTS SHELL OIL COMPANY (US) 2007-11-29 WO disclosed
WO-2007014843-A1 2-HYDROXY-PROPIONIC ACID DERIVATIVES AND 3-HYDROXY-BENZOFURAN-2-ONE DERIVATIVES WITH AFFINITY FOR THE GABA-B-RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 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-20100063326-A1 CATALYSTS COMPRISING A COMBINATION OF OXIDIZED METALS AND A METHOD FOR CLEAVING PHENYLALKYL HYDROPEROXIDES USING THE CATALYSTS GPX4, SOD1, PPOX OPRM1 1401/4885OPRL1 3122/4885MMP2 359/4885

“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.