SCHEMBL12828533

SCHEMBL12828533

O=C(NCCc1ccc(O)c(O)c1)C1=NOC(c2ccco2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALPG P10696 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PTGS1 P23219 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL12828280 0.86 RAB9A (0.55) ALDH1A1MAPTHSD17B10KDM4ELMNA
SCHEMBL12828600 0.85 RAB9A (0.43) ALDH1A1MAPTHSD17B10KDM4ELMNA
SCHEMBL12828997 0.85 MAPT (0.49) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL12828521 0.85 TP53 (0.46) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL12828599 0.84 RAB9A (0.45) ALDH1A1MAPTHSD17B10KDM4ELMNA
SCHEMBL12828881 0.84 ALDH1A1 (0.55) ALDH1A1MAPTHSD17B10KDM4ELMNA
SCHEMBL12828993 0.84 RAB9A (0.44) ALDH1A1HSD17B10LMNAHIF1ANPC1
SCHEMBL12828886 0.82 NAMPT (0.48) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL12828532 0.77 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL12828281 0.74 KMT2A (0.40) ALDH1A1HPGDMEN1KMT2ARAB9A

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-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ALPL 34/4885ALDH1A1 706/4885MAPT 2497/4885

“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.