SCHEMBL5076517

SCHEMBL5076517

C[C@@H](N[C@H](C)[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPK1 P28482 3/20 0.58
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HIF1A Q16665 3/20 0.55
CYP1A2 P05177 2/20 0.55
HTR1A P08908 2/20 0.55
ADRA2A P08913 2/20 0.55
CYP2D6 P10635 2/20 0.55
SLC6A2 P23975 2/20 0.55
CYP2C19 P33261 2/20 0.55
ADRA1A P35348 2/20 0.55
OPRM1 P35372 2/20 0.55
DRD3 P35462 2/20 0.55
SLC6A3 Q01959 2/20 0.55
KCNH2 Q12809 2/20 0.55
DRD1 P21728 1/20 0.55
SLC6A4 P31645 1/20 0.55
CDK1 P06493 1/20 0.55

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
SCHEMBL5076437 1.00 MEN1 (0.58) MEN1KMT2AMAPK1POLBNPSR1
SCHEMBL5079111 1.00 MEN1 (0.58) MEN1KMT2AMAPK1POLBNPSR1
SCHEMBL5076510 0.94 KMT2A (0.52) MEN1KMT2AMAPK1POLBNPSR1
SCHEMBL11606605 0.82 LMNA (0.63) MEN1KMT2AMAPK1POLBNPSR1
SCHEMBL17193745 0.81 ACP3 (0.58) MEN1KMT2AMAPK1HIF1ACYP1A2
SCHEMBL18472985 0.81 MEN1 (0.84) MEN1KMT2AMAPK1POLBNPSR1
SCHEMBL11606393 0.81 LMNA (0.66) HIF1ACYP1A2SLC6A2CYP2C19SLC6A3
SCHEMBL5076475 0.81 ADRA2C (0.64) MEN1KMT2AMAPK1POLBNPSR1
SCHEMBL5079112 0.80 HIF1A (0.62) MEN1KMT2AMAPK1POLBNPSR1
SCHEMBL5076518 0.80 HIF1A (0.62) MEN1KMT2AMAPK1POLBNPSR1

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 MEN1 3339/4885KMT2A 1460/4885MAPK1 945/4885

“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.