SCHEMBL5079112

SCHEMBL5079112

C[C@H](NCCc1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.62
SLC6A2 P23975 4/20 0.62
OPRM1 P35372 4/20 0.62
ADRB2 P07550 3/20 0.62
LMNA P02545 3/20 0.62
SLC6A4 P31645 3/20 0.62
CYP2D6 P10635 3/20 0.62
ADRA1A P35348 3/20 0.62
SLC6A3 Q01959 3/20 0.62
ADRB1 P08588 2/20 0.62
OPRK1 P41145 2/20 0.62
GALR3 O60755 1/20 0.62
SIGMAR1 Q99720 2/20 0.60
ADRB3 P13945 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPK1 P28482 2/20 0.60
POLB P06746 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL5076518 1.00 HIF1A (0.62) HIF1ASLC6A2OPRM1ADRB2LMNA
SCHEMBL5076440 1.00 HIF1A (0.62) HIF1ASLC6A2OPRM1ADRB2LMNA
SCHEMBL8742268 0.94 BCHE (0.59) HIF1ASLC6A2OPRM1ADRB2LMNA
SCHEMBL5076511 0.94 BCHE (0.59) HIF1ASLC6A2OPRM1ADRB2LMNA
SCHEMBL19329942 0.87 MEN1 (0.58) HIF1ASLC6A2OPRM1LMNASLC6A4
SCHEMBL5076478 0.84 LMNA (0.69) HIF1ASLC6A2OPRM1ADRB2LMNA
Hydrochloric Acid SCHEMBL9138402 0.83 LMNA (0.69) HIF1ASLC6A2OPRM1ADRB2LMNA
SCHEMBL18472985 0.83 MEN1 (0.84) LMNACYP2D6MEN1KMT2AMAPK1
SCHEMBL7728744 0.83 ADRB2 (0.60) HIF1ASLC6A2OPRM1ADRB2LMNA
SCHEMBL7728737 0.83 ADRB2 (0.60) HIF1ASLC6A2OPRM1ADRB2LMNA

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 HIF1A 3180/4885SLC6A2 2333/4885OPRM1 454/4885

“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.