SCHEMBL832203

SCHEMBL832203

C/C=C/C(=O)OC(=O)/C=C\C(=O)OC(=O)/C=C/C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.33
GSTP1 P09211 1/20 0.32

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
SCHEMBL21955999 1.00 HCAR2 (0.45) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL25405174 0.97 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL16505 0.97 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL25405178 0.97 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL16504 0.97 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL16503 0.97 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL8952295 0.89 NFE2L2 (0.65) HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL9514096 0.89 HCAR2 (0.54) HCAR2KEAP1NFE2L2ALDH1A1TSHR
Crotonic Acid SCHEMBL7250369 0.86 HCAR2 (0.44) HCAR2KEAP1NFE2L2ALDH1A1TSHR
Crotonic Acid SCHEMBL8811577 0.86 HCAR2 (0.44) HCAR2KEAP1NFE2L2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4057525-A MELAMINE RESIN, ACRYLIC RESIN KOWA CHEMICAL INDUSTRY LTD. (JA) 1977-11-08 US claimed
US-8143176-B2 Textile two or three dimensional fabric containing materials that are capable of swelling BASF AKTIENGESELLSCHAFT (DE) 2012-03-27 US disclosed
US-20100041291-A1 TEXTILE TWO OR THREE DIMENSIONAL FABRIC CONTAINING MATERIALS THAT ARE CAPABLE OF SWELLING BASF AKTIENGESELLSCHAFT (DE) 2010-02-18 US disclosed
US-7652111-B2 (Meth)acrylic acid esters of unsaturated aminoalcohols and preparation thereof BASF AKTIENGESELLSCHAFT (DE) 2010-01-26 US disclosed
US-20070043191-A1 (Meth)acrylic acid esters of unsaturated aminoalcohols and preparation thereof BASF AKTIENGESELLSCHAFT (DE) 2007-02-22 US disclosed
EP-0321088-B1 Process for preparing dispersions of advanced epoxy resins ICI PLC (GB) 1994-01-26 EP disclosed
US-4952456-A Epoxide advancement IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-28 US disclosed
EP-0321088-A2 Process for preparing dispersions of advanced epoxy resins IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-06-21 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-20070043191-A1 (Meth)acrylic acid esters of unsaturated aminoalcohols and preparation thereof ALAD, ADH1A, PAM HCAR2 185/4885KEAP1 1957/4885NFE2L2 3636/4885

“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.