SCHEMBL7044393

SCHEMBL7044393

COc1ccc(C[C@@H](CO)N(Cc2ccccc2)C[C@H](O)COc2ccc(OCc3ccccc3)c(N)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ABCB1 P08183 2/20 0.40
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
POLB P06746 3/20 0.38
NPC1 O15118 1/20 0.38
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
C5AR1 P21730 1/20 0.37
MAPK1 P28482 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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 0.95 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2AABCB1
SCHEMBL7040475 0.95 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2AABCB1
SCHEMBL7039495 0.94 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2AABCB1
SCHEMBL7040127 0.89 GAA (0.42) ALDH1A1TSHRMEN1KMT2AABCB1
SCHEMBL7042799 0.88 POLB (0.43) ALDH1A1TSHRMEN1KMT2AABCB1
SCHEMBL6487266 0.88 PTGES (0.37) ALDH1A1TSHRMEN1KMT2AABCB1
SCHEMBL7245309 0.87 OPRD1 (0.39) ALDH1A1TSHRMEN1KMT2AABCB1
SCHEMBL7245302 0.87 OPRD1 (0.39) ALDH1A1TSHRMEN1KMT2AABCB1
SCHEMBL7042572 0.86 KMT2A (0.44) ALDH1A1TSHRMEN1KMT2AABCB1
SCHEMBL6539034 0.82 MAOB (0.48) ALDH1A1TSHRMEN1KMT2APOLB

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 ALDH1A1 103/4885TSHR 3243/4885MEN1 2582/4885

“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.