SCHEMBL13554389

SCHEMBL13554389

O=C(O)c1ccccc1/C=C\c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.58
GRIA1 P42261 1/20 0.58
GRIA2 P42262 1/20 0.58
GRIA3 P42263 1/20 0.58
GRIA4 P48058 1/20 0.58
GRIK2 Q13002 1/20 0.58
GRIK3 Q13003 1/20 0.58
TRPA1 O75762 2/20 0.55
PTPN1 P18031 4/20 0.55
HNF4A P41235 1/20 0.55
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
MAPT P10636 3/20 0.50
NFE2L2 Q16236 2/20 0.50
CAPN1 P07384 1/20 0.50
BCL2L1 Q07817 1/20 0.49
BAD Q92934 1/20 0.49
PTPN6 P29350 2/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48

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
SCHEMBL2291774 1.00 GRIK1 (0.58) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL1019981 1.00 GRIK1 (0.58) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL29542528 1.00 GRIK1 (0.58) GRIK1GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL26105180 0.98 GRIK1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8902281 0.91 ALDH1A1 (0.62) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL70202 0.91 ALDH1A1 (0.62) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL70201 0.91 ALDH1A1 (0.62) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL68552 0.89 GRIK1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL68551 0.89 GRIK1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL9798108 0.87 TRPA1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 US disclosed
CN-114713283-A Cobalt nanoparticle efficient selective catalytic system and method for reducing alkyne to generate (Z) -olefin by using same 沈阳药科大学 2022-07-08 CN disclosed
US-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE UNIV INDIANA TRUSTEES (US) 2022-05-12 US disclosed
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE THE TRUSTEES OF INDIANA UNIVERSITY 2021-01-14 US disclosed
US-10254562-B2 Methods for tailoring the refractive index of lenses BATTELLE MEMORIAL INSTITUTE (US) 2019-04-09 US disclosed
US-9827088-B2 Methods of altering the refractive index of materials BATTELLE MEMORIAL INSTITUTE (US) 2017-11-28 US disclosed
US-9421090-B2 Adjustable intraocular lens BATTELLE MEDICAL INSTITUTE (US) 2016-08-23 US disclosed
US-20160229132-A1 METHODS OF ALTERING OPTICAL POWER OF A LENS BATTELLE MEMORIAL INSTITUTE 2016-08-11 US disclosed
US-20160228238-A1 METHODS OF ALTERING THE REFRACTIVE INDEX OF MATERIALS BATTELLE MEMORIAL INSTITUTE 2016-08-11 US disclosed
US-20160221283-A1 METHODS FOR TAILORING THE REFRACTIVE INDEX OF LENSES BATTELLE MEMORIAL INSTITUTE (US) 2016-08-04 US disclosed
US-20160195735-A1 METHODS FOR TAILORING THE REFRACTIVE INDEX OF LENSES BATTELLE MEMORIAL INSTITUTE 2016-07-07 US disclosed
US-20160195734-A1 METHODS OF ALTERING THE REFRACTIVE INDEX OF MATERIALS BATTELLE MEMORIAL INSTITUTE 2016-07-07 US disclosed
US-9232993-B2 Adjustable intraocular lens BATTELLE MEMORIAL INSTITUTE (US) 2016-01-12 US disclosed
US-20120268710-A1 ADJUSTABLE INTRAOCULAR LENS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-10-25 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 (3 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-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease ADM2, DDAH1, BHMT GRIK1 1928/4885GRIA1 1138/4885GRIA2 1492/4885
US-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT GRIK1 1928/4885GRIA1 1138/4885GRIA2 1492/4885
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT GRIK1 1928/4885GRIA1 1138/4885GRIA2 1492/4885

“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.