SCHEMBL5532462

SCHEMBL5532462

O=C(Cc1ccccc1)C(ONc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.46
CNR2 P34972 2/20 0.45
EPHX2 P34913 1/20 0.45
CNR1 P21554 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
AKR1B1 P15121 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 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
SCHEMBL9163949 0.81 CES1 (0.50) KLK7CNR2CNR1CRHBPCRHR2
SCHEMBL5528156 0.78 ALDH1A1 (0.43) KLK7CNR2CNR1CRHBPCRHR2
SCHEMBL942923 0.76 ALDH1A1 (0.56) KLK7CES2CES1MEN1KMT2A
SCHEMBL11095898 0.74 CNR2 (0.44) KLK7CNR2CNR1CRHBPCRHR2
SCHEMBL7441943 0.74 NPSR1 (0.45) KLK7CNR2CNR1CRHBPCRHR2
SCHEMBL5526156 0.74 CRHBP (0.39) KLK7CNR2CNR1CRHBPCRHR2
SCHEMBL7599647 0.73 KMT2A (0.51) CNR2CRHBPCRHR2CES2CES1
SCHEMBL7441937 0.73 NPSR1 (0.44) KLK7CNR2CNR1CRHBPCRHR2
SCHEMBL9165878 0.73 CES2 (0.46) KLK7CNR2CNR1CRHBPCRHR2
SCHEMBL28577864 0.70 CES1 (0.54) CNR2CNR1CES2CES1AKR1B1

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-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-08 US disclosed
EP-1717221-A1 PROCESSES FOR PRODUCTION OF ALPHA-AMINOOXYKETONES AND ALPHA-HYDROXYKETONES Japan Science and Technology Agency (JP) 2006-11-02 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-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones KHK, HCCS, XDH KLK7 163/4885CNR2 4600/4885EPHX2 869/4885

“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.