SCHEMBL4587666

SCHEMBL4587666

COc1ccc(CC[CH]c2ccc(OCC(=O)O)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 6/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.49
FFAR1 O14842 1/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL2768776 0.88 LMNA (0.52) SMN1; SMN2MAPTLMNAPOLBPPARG
SCHEMBL4587671 0.83 SMN1; SMN2 (0.57) SMN1; SMN2MAPTLMNAPOLBPKM
SCHEMBL7752249 0.80 ATM (0.58) MAPTPOLBPPARGPPARDPPARA
SCHEMBL27938428 0.79 MAPT (0.53) MAPTPOLBPPARGPPARDPPARA
SCHEMBL1775476 0.77 STAT3 (0.51) SMN1; SMN2MAPTLMNAPOLBPKM
SCHEMBL3732868 0.77 ALDH1A1 (0.47) SMN1; SMN2MAPTLMNAALDH1A1CYP3A4
SCHEMBL3176485 0.77 LMNA (0.62) SMN1; SMN2MAPTLMNAPOLBCSNK2A2
SCHEMBL2769875 0.76 LMNA (0.52) SMN1; SMN2LMNAPOLBPPARGPPARA
SCHEMBL2768779 0.75 PPARA (0.64) SMN1; SMN2LMNAPOLBPPARGPPARA
SCHEMBL2769638 0.74 LMNA (0.48) SMN1; SMN2MAPTLMNAPOLBPKM

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 2815/4885MAPT 50/4885LMNA 2446/4885

“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.