SCHEMBL5082435

SCHEMBL5082435

CC(N[C@H](C)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 1/20 0.51
GPR139 Q6DWJ6 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CYP3A4 P08684 1/20 0.46

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
SCHEMBL22828969 1.00 ACP3 (0.53) ACP3TDP1L3MBTL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL22828960 0.98 ACP3 (0.56) ACP3TDP1L3MBTL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL22828987 0.98 ACP3 (0.56) ACP3TDP1L3MBTL1ALDH1A1LMNA
SCHEMBL5082805 0.93 ACP3 (0.47) ACP3TDP1L3MBTL1ALDH1A1LMNA
SCHEMBL5076503 0.90 LMNA (0.54) ACP3TDP1ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL22828973 0.89 LMNA (0.53) ACP3TDP1ALDH1A1LMNAKDM4E
SCHEMBL5082686 0.85 KMT2A (0.52) ACP3TDP1L3MBTL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5082767 0.84 KMT2A (0.51) ACP3TDP1L3MBTL1ALDH1A1GPR139
SCHEMBL3823989 0.82 APAF1 (0.55) ACP3TDP1ALDH1A1LMNAKDM4E
SCHEMBL18722284 0.82 APAF1 (0.55) ACP3TDP1ALDH1A1LMNAKDM4E

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 ACP3 2531/4885TDP1 4161/4885L3MBTL1 3136/4885

“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.