SCHEMBL7042572

SCHEMBL7042572

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
CTSV O60911 3/20 0.40
CTSL P07711 3/20 0.40
ABCB1 P08183 2/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 2/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC2A1 P11166 1/20 0.38
HPGD P15428 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 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
SCHEMBL7244637 0.95 CTSV (0.41) KMT2AALDH1A1TSHRMEN1MAPT
SCHEMBL7039646 0.94 KMT2A (0.40) KMT2AALDH1A1MEN1MAPTCTSV
SCHEMBL7037727 0.90 GAA (0.43) KMT2AALDH1A1MEN1MAPTCTSV
SCHEMBL7044399 0.89 CTSV (0.40) KMT2AALDH1A1MEN1MAPTCTSV
SCHEMBL7040318 0.89 CTSV (0.40) KMT2AALDH1A1MEN1MAPTCTSV
SCHEMBL7036432 0.88 KMT2A (0.41) KMT2AALDH1A1MEN1MAPTCTSV
SCHEMBL7036429 0.88 KMT2A (0.41) KMT2AALDH1A1MEN1MAPTCTSV
SCHEMBL7044393 0.86 ALDH1A1 (0.44) KMT2AALDH1A1TSHRMEN1MAPT
SCHEMBL7037102 0.84 MAPT (0.39) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL6539571 0.82 GAA (0.50) KMT2AALDH1A1MEN1MAPTLMNA

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 KMT2A 1035/4885ALDH1A1 103/4885TSHR 3243/4885

“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.