SCHEMBL12083402

SCHEMBL12083402

CC1(O)C(=O)CCCOC1=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL12083425 0.87 LMNA (0.38) LMNACYP2C9
SCHEMBL28796425 0.74 CRBN (0.36) LMNACYP2C9
SCHEMBL12083434 0.73
SCHEMBL28470467 0.70
SCHEMBL27610880 0.67 LMNA (0.39) LMNACYP2C9
SCHEMBL9451829 0.66 CA1 (0.38) CA1CA9
SCHEMBL441725 0.66
SCHEMBL430902 0.64 CA1 (0.39) LMNACYP2C9CA1CA9
SCHEMBL4574758 0.64
SCHEMBL1262951 0.64

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-8258345-B2 Hydroxylation of β-dicarbonyls with zirconium catalysts E I DU PONT DE NEMOURS AND COMPANY (US) 2012-09-04 US disclosed
US-20110196175-A1 Hydroxylation of Beta-Dicarbonyls with Zirconium Catalysts FMC CORPORATION 2011-08-11 US disclosed
US-7939685-B2 Hydroxylation of β-dicarbonyls with zirconium catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-10 US disclosed
US-7939685-B2 Hydroxylation of β-dicarbonyls with zirconium catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-10 US disclosed
US-20100185014-A1 Hydroxylation of Beta-Dicarbonyls with Zirconium Catalysts FMC CORPORATION 2010-07-22 US disclosed
US-20100185014-A1 Hydroxylation of Beta-Dicarbonyls with Zirconium Catalysts FMC CORPORATION 2010-07-22 US disclosed
US-7718818-B2 Hydroxylation of beta-dicarbonyls with zirconium catalysts E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-05-18 US disclosed
US-7718818-B2 Hydroxylation of beta-dicarbonyls with zirconium catalysts E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-05-18 US disclosed
US-20080306259-A1 HYDROXYLATION OF BETA-DICARBONYLS WITH ZIRCONIUM CATALYSTS FMC CORPORATION 2008-12-11 US disclosed
US-20080306259-A1 HYDROXYLATION OF BETA-DICARBONYLS WITH ZIRCONIUM CATALYSTS FMC CORPORATION 2008-12-11 US disclosed
US-7414157-B2 Hydroxylation of β-dicarbonyls with zirconium catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-19 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-20100185014-A1 Hydroxylation of Beta-Dicarbonyls with Zirconium Catalysts CBR3, CBR1, NOXO1 LMNA 3105/4885CYP2C9 137/4885CA1 737/4885
US-20110196175-A1 Hydroxylation of Beta-Dicarbonyls with Zirconium Catalysts CBR3, CBR1, NOXO1 LMNA 3105/4885CYP2C9 137/4885CA1 737/4885
US-20080306259-A1 HYDROXYLATION OF BETA-DICARBONYLS WITH ZIRCONIUM CATALYSTS CBR3, CBR1, ASPH LMNA 3881/4885CYP2C9 77/4885CA1 259/4885

“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.