SCHEMBL5076506

SCHEMBL5076506

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.62
SIGMAR1 Q99720 3/20 0.49
ESRRG P62508 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 1/20 0.48
GRIN2B Q13224 2/20 0.47
DPP4 P27487 2/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ADRB2 P07550 2/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GALR3 O60755 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
SCHEMBL28888658 0.92 OPRK1 (0.55) OPRK1SIGMAR1ESRRGTSHRLMNA
Bromide SCHEMBL28888657 0.91 OPRK1 (0.54) OPRK1SIGMAR1ESRRGTSHRLMNA
SCHEMBL5082438 0.91 SIGMAR1 (0.53) OPRK1SIGMAR1MEN1KMT2ATSHR
SCHEMBL5082809 0.85 KMT2A (0.48) OPRK1SIGMAR1MEN1KMT2ATSHR
SCHEMBL5076500 0.85 MAOB (0.56) SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL5082286 0.85 MAOB (0.56) SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL3050802 0.85 KMT2A (0.51) OPRK1SIGMAR1MEN1KMT2AGRIN2B
SCHEMBL3052442 0.85 KMT2A (0.51) OPRK1SIGMAR1MEN1KMT2AGRIN2B
SCHEMBL3052726 0.85 KMT2A (0.51) OPRK1SIGMAR1MEN1KMT2AGRIN2B
Bromide SCHEMBL5078347 0.84 MAOB (0.55) SIGMAR1NPC1RAB9ASMN1; SMN2

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 OPRK1 21/4885SIGMAR1 551/4885ESRRG 3618/4885

“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.