SCHEMBL2392192

SCHEMBL2392192

O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.60
KLK7 P49862 11/20 0.49
KLK5 Q9Y337 9/20 0.49
PDE4D Q08499 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL18589299 1.00 BCHE (0.60) BCHEKLK7KLK5PDE4DSLC6A2
SCHEMBL18557872 1.00 BCHE (0.60) BCHEKLK7KLK5PDE4DSLC6A2
SCHEMBL2399000 1.00 BCHE (0.60) BCHEKLK7KLK5PDE4DSLC6A2
SCHEMBL21258139 1.00 BCHE (0.60) BCHEKLK7KLK5PDE4DSLC6A2
SCHEMBL12258542 1.00 BCHE (0.60) BCHEKLK7KLK5PDE4DSLC6A2
SCHEMBL12902908 1.00 BCHE (0.60) BCHEKLK7KLK5PDE4DSLC6A2
SCHEMBL16403009 1.00 BCHE (0.60) BCHEKLK7KLK5PDE4DSLC6A2
SCHEMBL21574397 0.90 BCHE (0.65) BCHEKLK7KLK5
SCHEMBL4752349 0.90 BCHE (0.65) BCHEKLK7KLK5
SCHEMBL17104807 0.87 BCHE (0.52) BCHEKLK7KLK5PDE4DSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
EP-4204441-A1 INSULIN RECEPTOR PARTIAL AGONISTS Merck Sharp & Dohme LLC (US) 2023-07-05 EP disclosed
WO-2022046739-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-03-03 WO disclosed
US-20220041641-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION SENDA BIOSCIENCES INC (US) 2022-02-10 US disclosed
EP-3891751-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION Senda Biosciences, Inc. (US) 2021-10-13 EP disclosed
WO-2020118238-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION KINTAI THERAPEUTICS, INC. (US) 2020-06-11 WO disclosed
US-10364251-B2 Polyesters from assymetrical monomers based upon bisanhydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2019-07-30 US disclosed
US-20170210750-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY 2017-07-27 US disclosed
US-9580544-B2 Polyesters from asymetrical monomers based upon bisanhydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2017-02-28 US disclosed
CN-102947360-B New polyester from asymmetry monomers based on double anhydrohexitols 新泽西理工学院 2016-12-21 CN disclosed
EP-2547708-A2 NEW POLYESTERS FROM ASYMMETRICAL MONOMERS BASED UPON BISANHYDROHEXITOLS New Jersey Institute of Technology (US) 2013-01-23 EP disclosed
US-20110237757-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols IOWA CORN PROMOTION BOARD (US) 2011-09-29 US disclosed
WO-2011116275-A2 NEW POLYESTERS FROM ASYMMETRICAL MONOMERS BASED UPON BISANHYDROHEXITOLS NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2011-09-22 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 (5 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-20220041641-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION SLC10A2, SLC10A1, BCAT2 BCHE 183/4885KLK7 2983/4885KLK5 1496/4885
US-10364251-B2 Polyesters from assymetrical monomers based upon bisanhydrohexitols ACMSD, AKR1C2, ALDOA BCHE 2426/4885KLK7 2583/4885KLK5 4060/4885
US-20110237757-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols ADSL, FHIT, ADSS2 BCHE 1980/4885KLK7 2547/4885KLK5 3757/4885
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 BCHE 3475/4885KLK7 1726/4885KLK5 4124/4885
US-20170210750-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols ADSL, FHIT, ADSS2 BCHE 1980/4885KLK7 2547/4885KLK5 3757/4885

“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.