SCHEMBL9909662

SCHEMBL9909662

CC(=O)c1ccc(O)c(N=O)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ SELL P14151 1/20 0.42
▸ SELP P16109 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 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
SCHEMBL19005982 0.82 SELL (0.65) ALDH1A1MAPTHPGDTDP1SMN1; SMN2
Gallacetophenone SCHEMBL105704 0.81 SELL (0.62) ALDH1A1MAPTHPGDTDP1L3MBTL1
Gallacetophenone SCHEMBL29537961 0.81 SELL (0.62) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL334851 0.72 MEN1 (0.50) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL9312650 0.72 THRB (0.54) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL29457560 0.72 MEN1 (0.50) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL13071683 0.72 MEN1 (0.50) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL1829470 0.71 ALDH1A1 (0.44) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL481035 0.71 MAPT (0.44) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL31069850 0.71 ALDH1A1 (0.48) ALDH1A1MAPTHPGDTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 — — EP disclosed
US-20120142646-A1 Novel Compounds 621 ASTRAZENECA AB (SE) 2012-06-07 — — US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 — — 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 (2 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-20120142646-A1 Novel Compounds 621 AR, ADRA1D, ADRA1B ALDH1A1 656/4885MAPT 2725/4885HPGD 3124/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A ALDH1A1 560/4885MAPT 1010/4885HPGD 2160/4885

“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.

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