SCHEMBL1775476

SCHEMBL1775476

COc1ccc(CC[C@@H](O)c2ccc(OCC(=O)O)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
ADRB2 P07550 2/20 0.48
POLB P06746 1/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC22A1 O15245 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRB1 P08588 1/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM1 P11229 1/20 0.47
NFKB1 P19838 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRM1 P35372 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL12650618 0.89 ELANE (0.41) SMN1; SMN2ALDH1A1ADRB2POLBTSHR
SCHEMBL21643553 0.87 FKBP1A (0.55) FKBP1A
SCHEMBL2767965 0.87 FKBP1A (0.55) FKBP1A
SCHEMBL21643480 0.85 STAT3 (0.46) STAT3SMN1; SMN2ALDH1A1KDM4ECYP3A4
SCHEMBL21643436 0.85 FKBP1A (0.48) STAT3SMN1; SMN2ALDH1A1KDM4EFKBP1A
SCHEMBL21643483 0.85 STAT3 (0.46) STAT3SMN1; SMN2ALDH1A1KDM4ECYP3A4
SCHEMBL21643438 0.85 FKBP1A (0.48) STAT3SMN1; SMN2ALDH1A1KDM4EFKBP1A
SCHEMBL21643379 0.84 STAT3 (0.47) STAT3SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL21643376 0.84 STAT3 (0.47) STAT3SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL21643523 0.83 STAT3 (0.46) STAT3SMN1; SMN2LMNAPKMFKBP1A

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-7943775-B2 to detect amyloid deposits prior to aggregation into plaques; labeled bifunctional compound binds to target protein and to chaperone protein; Alzheimer's; 1-[4-(carboxymethoxy)phenyl]-3-(3,4-dimethoxy-phenyl)-1-propanyl-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylate isomers bind differently THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-05-17 US disclosed
US-7943775-B2 to detect amyloid deposits prior to aggregation into plaques; labeled bifunctional compound binds to target protein and to chaperone protein; Alzheimer's; 1-[4-(carboxymethoxy)phenyl]-3-(3,4-dimethoxy-phenyl)-1-propanyl-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylate isomers bind differently THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-05-17 US disclosed
US-20080085238-A1 Small Molecules for Imaging Protein-Protein Interactions The Government of the United States of America as represented (US) 2008-04-10 US disclosed
US-20080085238-A1 Small Molecules for Imaging Protein-Protein Interactions The Government of the United States of America as represented (US) 2008-04-10 US 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-20080085238-A1 Small Molecules for Imaging Protein-Protein Interactions HSPBP1, HSPA2, HSPA8 STAT3 4277/4885SMN1; SMN2 2815/4885ALDH1A1 4140/4885

“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.