SCHEMBL317876

SCHEMBL317876

COc1ccc(CC(=O)OC(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
KLK7 P49862 9/20 0.64
TDP1 Q9NUW8 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.56
ATM Q13315 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.53
GAA P10253 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
SCHEMBL4901678 0.89 TSHR (0.81) TSHRKLK7TDP1SMN1; SMN2KMT2A
SCHEMBL13893698 0.86 KLK7 (0.61) KLK7TDP1SMN1; SMN2L3MBTL1ATM
SCHEMBL9478302 0.85 KLK7 (0.59) KLK7TDP1SMN1; SMN2L3MBTL1ATM
SCHEMBL17230514 0.83 SMN1; SMN2 (0.61) KLK7TDP1SMN1; SMN2L3MBTL1ATM
SCHEMBL7525162 0.83 ALDH1A1 (0.64) TDP1SMN1; SMN2L3MBTL1ALDH1A1CYP2C19
SCHEMBL7639014 0.83 HTT (0.53) KLK7TDP1SMN1; SMN2L3MBTL1ATM
SCHEMBL9626909 0.81 TSHR (0.70) TSHRKLK7TDP1KMT2A
SCHEMBL5175026 0.81 TSHR (0.76) TSHRKLK7HTTALDH1A1KMT2A
SCHEMBL10309729 0.81 TSHR (0.70) TSHRKLK7TDP1L3MBTL1KMT2A
SCHEMBL14010060 0.81 TSHR (0.70) TSHRKLK7TDP1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348517-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2023-11-02 US disclosed
US-11643429-B2 Compounds and methods for the treatment of ocular disorders Azura Ophthalmics Ltd. (IL) 2023-05-09 US disclosed
US-20210230205-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2021-07-29 US disclosed
EP-2003104-B1 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT JITSUBO CO LTD (JP) 2015-07-01 EP disclosed
US-8293948-B2 Reagent for organic synthesis and method of organic synthesis reaction with the reagent JITSUBO CO., LTD. (JP) 2012-10-23 US disclosed
US-8293948-B2 Reagent for organic synthesis and method of organic synthesis reaction with the reagent JITSUBO CO., LTD. (JP) 2012-10-23 US disclosed
US-8293948-B2 Reagent for organic synthesis and method of organic synthesis reaction with the reagent JITSUBO CO., LTD. (JP) 2012-10-23 US disclosed
US-20120108788-A1 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT JITSUBO CO., LTD. (JP) 2012-05-03 US disclosed
US-20120108788-A1 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT JITSUBO CO., LTD. (JP) 2012-05-03 US disclosed
US-20120108788-A1 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT JITSUBO CO., LTD. (JP) 2012-05-03 US disclosed
US-8093435-B2 Reagent for organic synthesis and method of organic synthesis reaction with the reagent JITSUBO CO., LTD. (JP) 2012-01-10 US disclosed
US-8093435-B2 Reagent for organic synthesis and method of organic synthesis reaction with the reagent JITSUBO CO., LTD. (JP) 2012-01-10 US disclosed
US-8093435-B2 Reagent for organic synthesis and method of organic synthesis reaction with the reagent JITSUBO CO., LTD. (JP) 2012-01-10 US disclosed
US-20090299103-A1 Reagent for Organic Synthesis and Method of Organic Synthesis Reaction with the Reagent NATIONAL UNIVERSITY CORPORATION, TOKYO UNIVERSITY (JP) 2009-12-03 US disclosed
US-20090299103-A1 Reagent for Organic Synthesis and Method of Organic Synthesis Reaction with the Reagent NATIONAL UNIVERSITY CORPORATION, TOKYO UNIVERSITY (JP) 2009-12-03 US disclosed
US-20090299103-A1 Reagent for Organic Synthesis and Method of Organic Synthesis Reaction with the Reagent NATIONAL UNIVERSITY CORPORATION, TOKYO UNIVERSITY (JP) 2009-12-03 US disclosed
EP-2003104-A9 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT National University Corporation Tokyo University of Agriculture and Technology (JP) 2009-04-15 EP disclosed
EP-2003104-A2 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT National University Corporation Tokyo University of Agriculture and Technology (JP) 2008-12-17 EP disclosed
US-4307034-A ALKYLATION IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-12-22 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 (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-20210230205-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS SERPINB1, KLKB1, MPO TSHR 2435/4885KLK7 52/4885TDP1 1989/4885
US-11643429-B2 Compounds and methods for the treatment of ocular disorders SERPINB1, KLKB1, MPO TSHR 2435/4885KLK7 52/4885TDP1 1989/4885
US-20090299103-A1 Reagent for Organic Synthesis and Method of Organic Synthesis Reaction with the Reagent COASY, OSTC, OGA TSHR 2440/4885KLK7 1282/4885TDP1 3716/4885
US-20120108788-A1 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT COASY, OSTC, OGA TSHR 2440/4885KLK7 1282/4885TDP1 3716/4885
US-20230348517-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS SERPINB1, KLKB1, MPO TSHR 2435/4885KLK7 52/4885TDP1 1989/4885

“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.