SCHEMBL4122613

SCHEMBL4122613

CC(C)(C)c1ccc(O)c(C(=O)O)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.62
GLRB P48167 1/20 0.62
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
MIF P14174 1/20 0.41
TYR P14679 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6231030 0.84 GLRA3 (0.57) GLRA3GLRBCA2CA1CA12
SCHEMBL9867735 0.84 PRKCI (0.49) GLRA3GLRBCA2CA9ALDH1A1
Salycilic Acid SCHEMBL1457176 0.82 GLRA3 (0.60) GLRA3GLRBCA2ALDH1A1CYP2C9
Salycilic Acid SCHEMBL29623842 0.82 GLRA3 (0.60) GLRA3GLRBCA2ALDH1A1CYP2C9
SCHEMBL9250903 0.82 GLRA3 (0.55) GLRA3GLRBCA2CA1RARB
SCHEMBL2788510 0.81 DPP4 (0.62) GLRA3GLRBCA2ALDH1A1CYP2C9
SCHEMBL17375000 0.81 GLRA3 (0.58) GLRA3GLRBCA2CA1CA12
SCHEMBL31335601 0.81 GLRA3 (0.48) GLRA3GLRBCA2CA1CA12
SCHEMBL4122067 0.79 CA2 (0.55) GLRA3GLRBCA2CA1CA12
SCHEMBL1456815 0.78 GLRA3 (0.55) GLRA3GLRBCA2CA1CA12

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US claimed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP claimed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO claimed
US-11739223-B2 Surface primer compositions and methods of use ENVISTA (US) 2023-08-29 US disclosed
US-11739223-B2 Surface primer compositions and methods of use ENVISTA (US) 2023-08-29 US disclosed
US-20230112086-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2023-04-13 US disclosed
US-11453790-B2 Photo-cleavable primer compositions and methods of use ENVISTA (US) 2022-09-27 US disclosed
US-11352512-B2 Surface primer compositions and methods of use ENVISTA (US) 2022-06-07 US disclosed
US-11214715-B2 Ionic polymers and their use as wet-adhesives and coatings ACatechol, Inc. (US) 2022-01-04 US disclosed
US-20200347248-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ENVISTA (US) 2020-11-05 US disclosed
US-20200347247-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE ENVISTA (US) 2020-11-05 US disclosed
US-20180171190-A1 FORMULATIONS AND APPLICATIONS OF WET-ADHESIVES ACatechol, Inc. (US) 2018-06-21 US disclosed
US-20170355890-A1 IONIC POLYMERS AND THEIR USE AS WET-ADHESIVES AND COATINGS ACatechol, Inc. (US) 2017-12-14 US disclosed
US-20170355890-A1 IONIC POLYMERS AND THEIR USE AS WET-ADHESIVES AND COATINGS ACatechol, Inc. (US) 2017-12-14 US disclosed
US-20170217999-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2017-08-03 US disclosed
US-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2017-08-03 US disclosed
US-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2017-08-03 US disclosed
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 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 (9 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-20170217999-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, GRIN1 GLRA3 28/4885GLRB 156/4885CA2 2282/4885
US-11453790-B2 Photo-cleavable primer compositions and methods of use SP1, GPER1, ESR1 GLRA3 129/4885GLRB 367/4885CA2 2462/4885
US-11352512-B2 Surface primer compositions and methods of use SP1, GPER1, GRIN1 GLRA3 28/4885GLRB 156/4885CA2 2282/4885
US-20200347247-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, GRIN1 GLRA3 28/4885GLRB 156/4885CA2 2282/4885
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 GLRA3 6/4885GLRB 2/4885CA2 339/4885
US-20200347248-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 GLRA3 129/4885GLRB 367/4885CA2 2462/4885
US-20230112086-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 GLRA3 129/4885GLRB 367/4885CA2 2462/4885
US-11739223-B2 Surface primer compositions and methods of use SP1, GPER1, GRIN1 GLRA3 28/4885GLRB 156/4885CA2 2282/4885
US-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 GLRA3 129/4885GLRB 367/4885CA2 2462/4885

“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.