SCHEMBL22833906

SCHEMBL22833906

COc1cccc(C(=O)Nc2cccc3c(NC(=O)c4cccc(OC)c4OC)cccc23)c1OC

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 3/20 0.67
GAA P10253 3/20 0.67
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
LMNA P02545 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MAPT P10636 4/20 0.63
TP53 P04637 2/20 0.62
MAPK1 P28482 2/20 0.59
POLB P06746 2/20 0.58
KMT2A Q03164 4/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 3/20 0.55
HPGD P15428 2/20 0.55
METAP2 P50579 1/20 0.54

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
SCHEMBL29603459 1.00 ALDH1A1 (0.67) ALDH1A1KDM4EGAARAB9ANPC1
SCHEMBL29603751 0.91 GAA (0.70) ALDH1A1KDM4EGAARAB9ANPC1
SCHEMBL13290719 0.85 NPC1 (0.68) ALDH1A1KDM4EGAARAB9ANPC1
SCHEMBL27739490 0.80 RAB9A (0.76) ALDH1A1KDM4EGAARAB9ANPC1
SCHEMBL22833904 0.80 NPC1 (0.86) ALDH1A1KDM4EGAARAB9ANPC1
SCHEMBL29603991 0.80 NPC1 (0.86) ALDH1A1KDM4EGAARAB9ANPC1
SCHEMBL1437649 0.79 RAB9A (0.61) ALDH1A1KDM4EGAARAB9ANPC1
SCHEMBL1534502 0.79 RAB9A (0.61) ALDH1A1KDM4EGAARAB9ANPC1
SCHEMBL8522485 0.78 TSHR (0.56) ALDH1A1KDM4EGAARAB9ANPC1
SCHEMBL28566971 0.78 GAA (0.55) ALDH1A1KDM4EGAARAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259243-A1 IRON(III) AND GALLIUM(III) METAL ORGANIC POLYHEDRA, METHODS OF MAKING SAME, AND USES THEREOF UNIV NEW YORK STATE RES FOUND (US) 2022-08-18 US disclosed
EP-3986482-A1 IRON(III) AND GALLIUM(III) METAL ORGANIC POLYHEDRA, METHODS OF MAKING SAME, AND USES THEREOF The Research Foundation for The State University of New York (US) 2022-04-27 EP disclosed
WO-2020263761-A1 IRON(III) AND GALLIUM(III) METAL ORGANIC POLYHEDRA, METHODS OF MAKING SAME, AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-12-30 WO disclosed
WO-2020263761-A1 IRON(III) AND GALLIUM(III) METAL ORGANIC POLYHEDRA, METHODS OF MAKING SAME, AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-12-30 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-20220259243-A1 IRON(III) AND GALLIUM(III) METAL ORGANIC POLYHEDRA, METHODS OF MAKING SAME, AND USES THEREOF SLC39A3, TFRC, SLC40A1 ALDH1A1 4725/4885KDM4E 4323/4885GAA 1616/4885

“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.