SCHEMBL7042799

SCHEMBL7042799

Nc1cc(C[C@@H](CO)N(Cc2ccccc2)C[C@H](O)COc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ABCB1 P08183 1/20 0.35
BCHE P06276 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL7039495 0.93 ALDH1A1 (0.40) POLBALDH1A1MAPK1GAAMAPT
SCHEMBL7040475 0.91 ALDH1A1 (0.40) POLBALDH1A1MAPK1GAAMAPT
SCHEMBL7176602 0.91 ALDH1A1 (0.40) POLBALDH1A1MAPK1GAAMAPT
SCHEMBL7040127 0.89 GAA (0.42) POLBALDH1A1MAPK1GAAMAPT
SCHEMBL7044393 0.88 ALDH1A1 (0.44) POLBALDH1A1MAPK1GAAMAPT
SCHEMBL6487266 0.84 PTGES (0.37) POLBALDH1A1MAPK1GAAMAPT
SCHEMBL7040318 0.84 CTSV (0.40) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL7044399 0.84 CTSV (0.40) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL6539034 0.84 MAOB (0.48) POLBALDH1A1MAPK1GAAMAPT
SCHEMBL6538633 0.84 POLB (0.49) POLBALDH1A1MAPK1GAAMAPT

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-20030073846-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-17 US disclosed
EP-1292564-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-19 EP disclosed
WO-2001062705-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-30 WO 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-20030073846-A1 Aminoalcohol derivatives XDH, ADH1A, ADRB1 POLB 1141/4885ALDH1A1 103/4885MAPK1 256/4885

“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.