SCHEMBL17537902

SCHEMBL17537902

O=C(O)CCC(Cc1ccc(CC(CCC(=O)O)C(=O)O)cc1)C(=O)O

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 3/20 0.85
▸ FOLH1 Q04609 7/20 0.63
▸ CYP1A2 P05177 1/20 0.57
▸ CPA1 P15085 2/20 0.55
▸ CPB1 P15086 1/20 0.55
▸ CPB2 Q96IY4 1/20 0.55
▸ NAALAD2 Q9Y3Q0 1/20 0.53

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
SCHEMBL3963424 0.92 CPA3 (1.00) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL29088272 0.92 CPA3 (1.00) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL11590416 0.91 CPA3 (0.72) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL17693401 0.91 CPA3 (0.72) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL8745187 0.87 CPA3 (0.66) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL13824952 0.83 CPA3 (0.60) CPA3FOLH1
SCHEMBL3174797 0.81 CPA3 (0.80) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL12494537 0.81 CPA3 (0.80) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL1822244 0.81 CPA3 (0.63) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL13824995 0.81 CPA3 (0.57) CPA3FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11220475-B2 Monomers from biomass NDSU RESEARCH FOUNDATION (US) 2022-01-11 — — US disclosed
US-20210198175-A9 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2021-07-01 — — US disclosed
US-20200140368-A1 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2020-05-07 — — US disclosed
US-20180093939-A9 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2018-04-05 — — US disclosed
US-20180093939-A9 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2018-04-05 — — US disclosed
US-9738753-B2 Programmed degradation of polymers derived from biomass NDSU RESEARCH FOUNDATION (US) 2017-08-22 — — US disclosed
US-9738753-B2 Programmed degradation of polymers derived from biomass NDSU RESEARCH FOUNDATION (US) 2017-08-22 — — US disclosed
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2017-08-17 — — US disclosed
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2017-08-17 — — US disclosed
US-20160108172-A1 PROGRAMMED DEGRADATION OF POLYMERS DERIVED FROM BIOMASS NORTH DAKOTA STATE UNIVERSITY 2016-04-21 — — US disclosed
US-20160108172-A1 PROGRAMMED DEGRADATION OF POLYMERS DERIVED FROM BIOMASS NORTH DAKOTA STATE UNIVERSITY 2016-04-21 — — US disclosed
WO-2016022943-A2 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2016-02-11 — — 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 (6 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-20160108172-A1 PROGRAMMED DEGRADATION OF POLYMERS DERIVED FROM BIOMASS PARG, PPOX, PGLS CPA3 1409/4885FOLH1 672/4885CYP1A2 762/4885
US-20210198175-A9 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS CPA3 3042/4885FOLH1 2762/4885CYP1A2 2821/4885
US-20180093939-A9 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS CPA3 3042/4885FOLH1 2762/4885CYP1A2 2821/4885
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS CPA3 3042/4885FOLH1 2762/4885CYP1A2 2821/4885
US-20200140368-A1 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS CPA3 3042/4885FOLH1 2762/4885CYP1A2 2821/4885
US-11220475-B2 Monomers from biomass DCXR, MGAM, ALG1 CPA3 3262/4885FOLH1 3610/4885CYP1A2 1394/4885

“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.

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