SCHEMBL361529

SCHEMBL361529

COCCOC(C)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.36
GBA1 P04062 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
CYP24A1 Q07973 1/20 0.36
VDR P11473 1/20 0.36
TSHR P16473 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL7697577 0.96 ALDH1A1 (0.41) ALDH1A1LMNAHPGDHTTGAA
SCHEMBL21803209 0.84 GBA1 (0.40) ALDH1A1GAAGBA1CYP3A4CYP2C9
SCHEMBL17350537 0.84 AGER (0.39) ALDH1A1LMNAHPGDHTTGAA
SCHEMBL18301951 0.83 CA12 (0.41) ALDH1A1LMNAHPGDGAAGBA1
SCHEMBL15535742 0.82 ALDH1A1 (0.40) ALDH1A1LMNAHPGDGAAGBA1
SCHEMBL244713 0.82 CA2 (0.41) ALDH1A1LMNAHPGDGAAGBA1
SCHEMBL15604373 0.82 ALDH1A1 (0.37) ALDH1A1GAAGBA1CYP3A4CYP2C9
SCHEMBL8940312 0.81 ALDH1A1 (0.36) ALDH1A1GAAGBA1CYP3A4CYP2C9
SCHEMBL890642 0.81 GAA (0.50) ALDH1A1LMNAHTTGAAMAPT
SCHEMBL28925139 0.81 ALDH1A1 (0.37) ALDH1A1HPGDGAAGBA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11094964-B2 Rechargeable electrochemical cell BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2021-08-17 US disclosed
US-10750746-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2020-08-25 US disclosed
EP-3545580-A2 RECHARGEABLE ELECTROCHEMICAL CELL Board of Trustees of Michigan State University (US) 2019-10-02 EP disclosed
US-10336743-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2019-07-02 US disclosed
US-20190116797-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY(PHENYLENE ETHYNYLENES) (PPEs) UNIV FLORIDA (US) 2019-04-25 US disclosed
US-10174042-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) STC.UNM (US) 2019-01-08 US disclosed
US-20170247367-A1 AMINOPYRIMIDINE KINASE INHIBITORS P2K DYNAMICS INC. 2017-08-31 US disclosed
US-9629840-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2017-04-25 US disclosed
US-20170057970-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPEs) WHITTEN DAVID G (US) 2017-03-02 US disclosed
US-9527806-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) STC.UNM (US) 2016-12-27 US disclosed
US-20150202205-A1 AMINOPYRIMIDINE KINASE INHIBITORS P2K DYNAMICS INC. 2015-07-23 US disclosed
US-8927525-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-01-06 US disclosed
EP-2776432-A1 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals LLC (US) 2014-09-17 EP disclosed
US-20130310342-A1 Aminopyrimidine Kinase Inhibitors P2K DYNAMICS INC. 2013-11-21 US disclosed
US-20130210828-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPEs) UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2013-08-15 US disclosed
WO-2013066684-A1 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2013-05-10 WO disclosed
WO-2012009484-A2 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPES) STC.UNM (US) 2012-01-19 WO disclosed
US-4436664-A PHASE TRANSFER AGENTS W. R. GRACE & CO. (US) 1984-03-13 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 (10 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-20170247367-A1 AMINOPYRIMIDINE KINASE INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 3087/4885LMNA 3264/4885HPGD 3594/4885
US-10174042-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) PGLS, POLI, PARN ALDH1A1 3189/4885LMNA 1725/4885HPGD 3704/4885
US-20130310342-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 ALDH1A1 2942/4885LMNA 3639/4885HPGD 3472/4885
US-20130210828-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPEs) PGLS, POLI, PARN ALDH1A1 3189/4885LMNA 1725/4885HPGD 3704/4885
US-11094964-B2 Rechargeable electrochemical cell NES, SLC25A13, HCN2 ALDH1A1 2472/4885LMNA 2239/4885HPGD 2971/4885
US-20190116797-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY(PHENYLENE ETHYNYLENES) (PPEs) PGLS, POLI, PARN ALDH1A1 3195/4885LMNA 1763/4885HPGD 3655/4885
US-20170057970-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPEs) PGLS, POLI, PARN ALDH1A1 3189/4885LMNA 1725/4885HPGD 3704/4885
US-20150202205-A1 AMINOPYRIMIDINE KINASE INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 2942/4885LMNA 3639/4885HPGD 3472/4885
US-10336743-B2 Aminopyrimidine kinase inhibitors PIM1, PIM2, PIM3 ALDH1A1 2942/4885LMNA 3639/4885HPGD 3472/4885
US-10750746-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) PGLS, POLI, PARN ALDH1A1 3189/4885LMNA 1725/4885HPGD 3704/4885

“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.