SCHEMBL163587

SCHEMBL163587

CC(C)NC(=O)c1ccccc1[O]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
PKM P14618 1/20 0.54
KDM4E B2RXH2 3/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX5 P09917 1/20 0.46
POLB P06746 1/20 0.43

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
SCHEMBL799166 0.84 KCNK3 (0.53) ALDH1A1PKMKDM4EHTTLMNA
SCHEMBL15204485 0.82 MEN1 (0.73) ALDH1A1PKMKDM4EHTTLMNA
SCHEMBL1387921 0.81 ALDH1A1 (0.63) ALDH1A1PKMKDM4EHTTLMNA
SCHEMBL6105988 0.80 LMNA (0.69) ALDH1A1PKMKDM4EHTTLMNA
SCHEMBL13544849 0.80 LMNA (0.51) ALDH1A1PKMKDM4EHTTLMNA
SCHEMBL394511 0.80 HPGD (0.56) ALDH1A1PKMKDM4EHTTLMNA
SCHEMBL550463 0.80 ALDH1A1 (0.56) ALDH1A1PKMKDM4EHTTLMNA
SCHEMBL22924507 0.79 MEN1 (0.47) ALDH1A1PKMKDM4EHTTLMNA
SCHEMBL8626581 0.79 ALDH1A1 (0.80) ALDH1A1PKMHTTLMNAL3MBTL1
SCHEMBL3377192 0.78 GAA (0.63) ALDH1A1HTTLMNAL3MBTL1MEN1

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-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 ALDH1A1 1667/4885PKM 742/4885KDM4E 2214/4885

“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.