SCHEMBL7517029

SCHEMBL7517029

CC(=O)C1(O)CCOC1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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
SCHEMBL12083338 0.88 LMNA (0.34) CYP2C9LMNAALDH1A1
SCHEMBL12083419 0.86 LMNA (0.33) CYP2C9LMNAALDH1A1
SCHEMBL4252207 0.74 CYP2C9 (0.41) CYP2C9LMNAALDH1A1CYP3A4CYP2C19
SCHEMBL8990312 0.72 ALDH1A1 (0.35) CYP2C9LMNAALDH1A1CYP3A4CYP2C19
SCHEMBL17199882 0.72 ALDH1A1 (0.35) CYP2C9LMNAALDH1A1CYP3A4CYP2C19
SCHEMBL263371 0.72 ALDH1A1 (0.35) CYP2C9LMNAALDH1A1CYP3A4CYP2C19
SCHEMBL4895573 0.71 ALDH1A1 (0.35) CYP2C9LMNAALDH1A1CYP3A4CYP2C19
SCHEMBL4574758 0.70
SCHEMBL2958233 0.70 LMNA (0.36) CYP2C9LMNA
SCHEMBL8593083 0.69 ALDH1A1 (0.34) CYP2C9LMNAALDH1A1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113831229-B Green synthesis method of vitamin B1 intermediate 浙江新和成股份有限公司 2023-06-30 CN claimed
WO-2001060986-A9 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN INC (US) 2002-10-17 WO claimed
WO-2001060986-A2 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN, INC. (US) 2001-08-23 WO claimed
CN-113831229-B Green synthesis method of vitamin B1 intermediate 浙江新和成股份有限公司 2023-06-30 CN disclosed
CN-113831229-B Green synthesis method of vitamin B1 intermediate 浙江新和成股份有限公司 2023-06-30 CN disclosed
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-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-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-7414157-B2 Hydroxylation of β-dicarbonyls with zirconium catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-19 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
WO-2001060986-A9 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN INC (US) 2002-10-17 WO disclosed
WO-2001060986-A2 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN, INC. (US) 2001-08-23 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 (2 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 CYP2C9 137/4885LMNA 3105/4885ALDH1A1 258/4885
US-20110196175-A1 Hydroxylation of Beta-Dicarbonyls with Zirconium Catalysts CBR3, CBR1, NOXO1 CYP2C9 137/4885LMNA 3105/4885ALDH1A1 258/4885

“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.