SCHEMBL5849571

SCHEMBL5849571

C/C=C(\C)C(=O)O.C=C(C)C(=O)OCCO

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL1756521 1.00 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL30531495 0.88 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28087290 0.87 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL9453862 0.87 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL467445 0.87 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28056168 0.86 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
Propene SCHEMBL10530371 0.85 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
Propene SCHEMBL10531877 0.85 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
Propene SCHEMBL998377 0.85 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL7623072 0.85 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045134-B2 Borellia burgdorferi epitope peptides UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2006-05-16 US disclosed
US-20030040126-A1 Immunological test kit with immunologically invisible carrier UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2003-02-27 US disclosed
US-20030040127-A1 Multiple epitopes connected by a carrier UNIV. OF MED. & DENT. OF NEW JERSEY 2003-02-27 US disclosed
US-20030031674-A1 Poly (ethylene glycol) copolymers QIU BO (US) 2003-02-13 US disclosed
US-20020197271-A1 Borellia burgdorferi epitope peptides UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2002-12-26 US disclosed
US-20020106706-A1 Immunological test kit with borellia burgdorferi epitope QIU BO (US) 2002-08-08 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 (3 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-20030031674-A1 Poly (ethylene glycol) copolymers FCGRT, FCGR1A, TLR3 THRB 4178/4885TSHR 2583/4885ALDH1A1 4205/4885
US-20020106706-A1 Immunological test kit with borellia burgdorferi epitope TLR7, LY96, TLR9 THRB 1313/4885TSHR 1272/4885ALDH1A1 4773/4885
US-20020197271-A1 Borellia burgdorferi epitope peptides CD81, TLR9, TLR7 THRB 1176/4885TSHR 653/4885ALDH1A1 4795/4885

“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.