SCHEMBL6449227

SCHEMBL6449227

C=CC(=O)OC(c1cc(CCC)cc(C(C)(C)C)c1O)c1cc(CCC)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.46
KMT2A Q03164 3/20 0.42
THRB P10828 3/20 0.42
HMGCR P04035 2/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
USP2 O75604 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
ATM Q13315 1/20 0.37
HIF1A Q16665 1/20 0.37
HSPA5 P11021 1/20 0.35
XBP1 P17861 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL11068064 0.86 GAA (0.41) GAAKMT2AHMGCRTSHRMEN1
SCHEMBL2671206 0.82 THRB (0.42) GAAKMT2ATHRBHMGCRTSHR
SCHEMBL466169 0.80 SMN1; SMN2 (0.47) GAAKMT2AHMGCRTSHRMEN1
SCHEMBL10622475 0.80 CYP3A4 (0.45) GAAHMGCRTSHRALDH1A1CYP1A2
SCHEMBL4157320 0.75 GAA (0.46) GAAKMT2AHMGCRTSHRMEN1
SCHEMBL6449224 0.74 HSPA5 (0.49) GAAKMT2ATHRBTSHRMEN1
SCHEMBL6394388 0.74 TSHR (0.52) GAAKMT2AHMGCRTSHRMEN1
SCHEMBL5412953 0.73 GAA (0.56) GAAKMT2ATHRBTSHRMEN1
Acrylic Acid SCHEMBL6449228 0.73 HSPA5 (0.57) GAAKMT2ATHRBTSHRMEN1
SCHEMBL2265057 0.73 GAA (0.55) GAAKMT2AHMGCRTSHRMEN1

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-6861552-B2 Adamantyl ester monomer composition TOKUYAMA CORPORATION (JP) 2005-03-01 US disclosed
US-20040015008-A1 Adamantyl ester monomer composition TOKUYAMA CORPORATION (JP) 2004-01-22 US disclosed
EP-1306363-A1 ADAMANTYL ESTER MONOMER COMPOSITION TOKUYAMA CORPORATION (JP) 2003-05-02 EP 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-20040015008-A1 Adamantyl ester monomer composition PRMT1, HSD11B1, HSD3B1 GAA 4694/4885KMT2A 2307/4885THRB 4613/4885

“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.