SCHEMBL4587671

SCHEMBL4587671

COc1ccc(CCCc2ccc(OCC(=O)O)cc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.54
PKM P14618 1/20 0.54
LPAR1 Q92633 2/20 0.54
LPAR2 Q9HBW0 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
LTA4H P09960 1/20 0.49
POLB P06746 2/20 0.49
LDHA P00338 1/20 0.49

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
SCHEMBL2768779 0.88 PPARA (0.64) SMN1; SMN2LMNALPAR1LPAR2ALDH1A1
SCHEMBL23193851 0.85 LTA4H (0.46) SMN1; SMN2LMNAPKMLPAR1LPAR2
SCHEMBL4587666 0.83 SMN1; SMN2 (0.52) SMN1; SMN2LMNAPKMALDH1A1MAPT
SCHEMBL1775476 0.82 STAT3 (0.51) SMN1; SMN2LMNAPKMALDH1A1MAPT
SCHEMBL3176485 0.82 LMNA (0.62) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL22609975 0.82 MEN1 (0.55) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL13886138 0.80 LDHA (0.51) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL27182732 0.80 POLB (0.64) SMN1; SMN2ALDH1A1KMT2APLAAT3PLAAT5
SCHEMBL22622281 0.80 MEN1 (0.52) SMN1; SMN2KMT2AMEN1POLB
SCHEMBL9509091 0.80 MAPT (0.67) SMN1; SMN2LMNAALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 SMN1; SMN2 2815/4885LMNA 2446/4885PKM 1285/4885

“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.