SCHEMBL4398019

SCHEMBL4398019

O=C(O)c1nocc1-c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.44
HSP90AA1 P07900 1/20 0.44
ESR1 P03372 3/20 0.44
DUSP3 P51452 1/20 0.41
PTGER2 P43116 1/20 0.39
CA12 O43570 3/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
TYR P14679 1/20 0.38
DRD1 P21728 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALPL P05186 1/20 0.37

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
SCHEMBL4075531 0.85 PTPN1 (0.47) ALDH1A1HSP90AA1DUSP3PTGS2LMNA
SCHEMBL27809428 0.84 MAPK14 (0.49) CA12ALPLPTGS2KMT2A
SCHEMBL27809403 0.80 CYP2C8 (0.46) LMNARAB9ANPC1TP53CYP2C9
SCHEMBL27809437 0.77 KMO (0.48) PTGER2
SCHEMBL27787513 0.77 AURKA (0.45) CYP2C9
SCHEMBL27985341 0.76 F2 (0.38) HSD17B10PTGS2RAB9AMEN1KMT2A
SCHEMBL22619671 0.75 MKNK1 (0.50) ALDH1A1MAPTTP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28054248 0.75 F2 (0.37) HSD17B10PTGS2RAB9AMEN1KMT2A
SCHEMBL27787507 0.73 KMO (0.47) DUSP3CYP3A4CYP2C9CYP2C19
SCHEMBL4658590 0.72 PIN1 (0.48) DUSP3RAB9ANPC1TP53PKM

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
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed

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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ALDH1A1 706/4885HSD17B10 2297/4885HSP90AA1 2743/4885

“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.