SCHEMBL5082302

SCHEMBL5082302

COc1ccc(CCNC(C)C(=O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
FFAR1 O14842 2/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
MAOB P27338 2/20 0.51
PTPN1 P18031 1/20 0.51
ATM Q13315 1/20 0.50
PLA2G4B P0C869 1/20 0.50

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
SCHEMBL5082780 0.96 BCHE (0.54) BCHEMEN1KMT2ANPC1POLB
SCHEMBL5082286 0.94 MAOB (0.56) BCHENPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL5076500 0.94 MAOB (0.56) BCHENPC1RAB9ASMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL5079981 0.93 MAOB (0.55) BCHENPC1RAB9ASMN1; SMN2FFAR1
Bromide SCHEMBL5078347 0.93 MAOB (0.55) BCHENPC1RAB9ASMN1; SMN2FFAR1
Oxalic Acid SCHEMBL5082796 0.92 MAOB (0.53) BCHEMEN1KMT2ANPC1RAB9A
SCHEMBL5082682 0.90 MAOB (0.51) BCHENPC1POLBRAB9ASMN1; SMN2
SCHEMBL5082447 0.90 MAOB (0.51) BCHENPC1POLBRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6212620 0.85 SIGMAR1 (0.57) BCHEMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5082300 0.81 NPC1 (0.53) NPC1POLBRAB9ASMN1; SMN2ALDH1A1

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 BCHE 550/4885MEN1 3339/4885KMT2A 1460/4885

“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.