SCHEMBL2045541

SCHEMBL2045541

O=C(O)C=CC(=O)OC(CO)CCO

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.48
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
PRKCA P17252 1/20 0.30

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
SCHEMBL4439679 0.88 HCAR2 (0.56) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL15570481 0.88 HCAR2 (0.56) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL8459101 0.85 HCAR2 (0.50) HCAR2MAPTMAPK1PRKCA
SCHEMBL871389 0.84 HCAR2 (0.48) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL7037830 0.84 HCAR2 (0.48) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL871387 0.84 HCAR2 (0.48) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL8461078 0.84 HCAR2 (0.51) HCAR2TSHRMAPTMAPK1
SCHEMBL9576356 0.84 HCAR2 (0.51) HCAR2TSHRMAPTMAPK1
SCHEMBL10837357 0.82 HCAR2 (0.53) HCAR2TSHRMAPTMAPK1PRKCA
SCHEMBL6049907 0.81 HCAR2 (0.53) HCAR2TSHRTP53EGLN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964696-B2 Chain extenders POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-06-21 US claimed
US-20090175921-A1 Chain Extenders POLYNOVO BIOMATERIALS PTY LIMITED 2009-07-09 US claimed
EP-1945690-A1 CHAIN EXTENDERS Polynovo Biomaterials Pty Limited (AU) 2008-07-23 EP claimed
WO-2007033418-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2007-03-29 WO claimed
US-20150105530-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LTD (AU) 2015-04-16 US disclosed
US-7964696-B2 Chain extenders POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-06-21 US disclosed
EP-2195361-A1 HIGH MODULUS POLYURETHANE AND POLYURETHANE/UREA COMPOSITIONS Polynovo Biomaterials Limited (AU) 2010-06-16 EP disclosed
US-20090175921-A1 Chain Extenders POLYNOVO BIOMATERIALS PTY LIMITED 2009-07-09 US disclosed
WO-2009043099-A1 HIGH MODULUS POLYURETHANE AND POLYURETHANE/UREA COMPOSITIONS POLYNOVO BIOMATERIALS LIMITED (AU) 2009-04-09 WO disclosed
EP-1945690-A1 CHAIN EXTENDERS Polynovo Biomaterials Pty Limited (AU) 2008-07-23 EP disclosed
WO-2007033418-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2007-03-29 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-20090175921-A1 Chain Extenders UMPS, PUF60, SMC1A HCAR2 2351/4885TSHR 3975/4885TP53 4064/4885

“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.