SCHEMBL7040127

SCHEMBL7040127

Nc1cc(OC[C@@H](O)CN(Cc2ccccc2)[C@H](CO)Cc2ccc(OCc3ccccc3)c(Cl)c2)ccc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KCNH2 Q12809 1/20 0.37
HPGD P15428 1/20 0.37
ABCB1 P08183 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
TP53 P04637 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 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
SCHEMBL7176602 0.92 ALDH1A1 (0.40) GAAALDH1A1RAB9AABCB1MAPT
SCHEMBL7040475 0.92 ALDH1A1 (0.40) GAAALDH1A1RAB9AABCB1MAPT
SCHEMBL7039495 0.91 ALDH1A1 (0.40) GAAALDH1A1RAB9AABCB1MAPT
SCHEMBL7042799 0.89 POLB (0.43) GAAALDH1A1RAB9AABCB1MAPT
SCHEMBL7044393 0.89 ALDH1A1 (0.44) GAAALDH1A1NPC1ABCB1MAPT
SCHEMBL7037727 0.86 GAA (0.43) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6487266 0.85 PTGES (0.37) GAAALDH1A1ABCB1MAPTMAPK1
SCHEMBL7041051 0.85 NPC1 (0.39) GAANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7042715 0.80 OPRD1 (0.40) GAAALDH1A1ABCB1MAPTMAPK1
SCHEMBL7037102 0.80 MAPT (0.39) GAAALDH1A1NPC1RAB9AMAPT

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 GAA 4150/4885ALDH1A1 103/4885NPC1 627/4885

“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.