SCHEMBL5082686

SCHEMBL5082686

CC(N[C@H](C)c1ccccc1)C(=O)c1ccc(OC(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
PARP10 Q53GL7 1/20 0.50
MAPT P10636 6/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.48
ELANE P08246 1/20 0.44
ACP3 P15309 2/20 0.43
ROCK2 O75116 1/20 0.43
GPR139 Q6DWJ6 2/20 0.43
LMNA P02545 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
Hydrochloric Acid SCHEMBL5082767 0.99 KMT2A (0.51) KMT2AMEN1PARP10MAPTNPC1
SCHEMBL5082241 0.95 TMPRSS15 (0.48) KMT2AMEN1PARP10MAPTNPC1
SCHEMBL22828969 0.85 ACP3 (0.53) NPC1ALDH1A1TDP1L3MBTL1ACP3
SCHEMBL5082435 0.85 ACP3 (0.53) NPC1ALDH1A1TDP1L3MBTL1ACP3
Hydrochloric Acid SCHEMBL22828987 0.84 ACP3 (0.56) NPC1ALDH1A1TDP1L3MBTL1ACP3
Hydrochloric Acid SCHEMBL22828960 0.84 ACP3 (0.56) NPC1ALDH1A1TDP1L3MBTL1ACP3
SCHEMBL5079906 0.80 ALDH1A1 (0.42) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL5082798 0.80 ALDH1A1 (0.42) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL5076503 0.80 LMNA (0.54) NPC1POLBALDH1A1TDP1ACP3
SCHEMBL5082805 0.80 ACP3 (0.47) KMT2AMAPTNPC1POLBALDH1A1

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
US-7408084-B2 Process for producing optically active β-amino alcohol KANEKA CORPORATION (JP) 2008-08-05 US disclosed
US-20050277791-A1 Process for producing optically active beta-amino alcohol KANEKA CORPORATION (JP) 2005-12-15 US disclosed
EP-1512677-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE s-AMINO ALCOHOL KANEKA CORPORATION (JP) 2005-03-09 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-20050277791-A1 Process for producing optically active beta-amino alcohol ADH1A, ALDH7A1, ADH1C KMT2A 1460/4885MEN1 3339/4885PARP10 1505/4885

“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.