SCHEMBL1913757

SCHEMBL1913757

COc1cccc(OCC[C@@H](C)C[C@H](CN)CC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
CACNA2D1 P54289 2/20 0.41
CACNB3 P54284 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA2D2 Q9NY47 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
SCHEMBL6454407 1.00 LMNA (0.49) LMNAMAPK1ALDH1A1TSHRTDP1
SCHEMBL3117858 1.00 LMNA (0.49) LMNAMAPK1ALDH1A1TSHRTDP1
SCHEMBL6453190 0.88 LMNA (0.51) LMNAMAPK1ALDH1A1TSHRTDP1
SCHEMBL1913748 0.88 LMNA (0.51) LMNAMAPK1ALDH1A1TSHRTDP1
SCHEMBL3125669 0.88 LMNA (0.51) LMNAMAPK1ALDH1A1TSHRTDP1
SCHEMBL3114126 0.88 CACNA2D1 (0.45) MAPK1MTNR1AMTNR1BCACNA2D1CACNB3
SCHEMBL1913741 0.88 CACNA2D1 (0.45) MAPK1MTNR1AMTNR1BCACNA2D1CACNB3
SCHEMBL7174635 0.88 CACNA2D1 (0.45) MAPK1MTNR1AMTNR1BCACNA2D1CACNB3
SCHEMBL3114806 0.88 CACNA2D1 (0.47) MAPK1TDP1MTNR1AMTNR1BPPARG
SCHEMBL1913698 0.88 CACNA2D1 (0.47) MAPK1TDP1MTNR1AMTNR1BPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10898516-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN UNIVERSITY (US) 2021-01-26 US claimed
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 US claimed
EP-2509596-B1 GAMMA AMINOACIDS FOR TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2019-08-28 EP claimed
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN UNIVERSITY 2019-08-22 US claimed
US-10272106-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN RESERVE UNIVERSITY (US) 2019-04-30 US claimed
US-10208049-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-02-19 US claimed
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-05-17 US claimed
US-20170239196-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDEYRA THERAPEUTICS, INC. (F/K/A ALDEXA THERAPEUTICS, INC. F/K/A NEURON SYSTEMS, INC.) 2017-08-24 US claimed
US-20170196908-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN RESERVE UNIVERSITY 2017-07-13 US claimed
EP-3151818-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY Case Western Reserve University (US) 2017-04-12 EP claimed
WO-2011071995-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2011-06-16 WO claimed
US-20040097405-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2004-05-20 US claimed
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids BELLIOTTI THOMAS RICHARD (US) 2004-04-01 US claimed
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder DOOLEY DAVID JAMES (US) 2004-01-08 US claimed
US-6642398-B2 Improving drug qualities such as bioavailability and stability WARNER-LAMBERT COMPANY 2003-11-04 US claimed
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids BELLIOTTI THOMAS RICHARD (US) 2003-09-25 US claimed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US claimed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP claimed
EP-1192125-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 EP claimed
WO-2000076958-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 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-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 LMNA 406/4885MAPK1 3047/4885ALDH1A1 30/4885
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 LMNA 3316/4885MAPK1 861/4885ALDH1A1 647/4885
US-10272106-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 LMNA 3316/4885MAPK1 861/4885ALDH1A1 647/4885
US-20170239196-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 LMNA 1558/4885MAPK1 4021/4885ALDH1A1 3/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 LMNA 1689/4885MAPK1 1754/4885ALDH1A1 607/4885
US-20170196908-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 LMNA 3316/4885MAPK1 861/4885ALDH1A1 647/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT LMNA 1190/4885MAPK1 4633/4885ALDH1A1 245/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 LMNA 406/4885MAPK1 3047/4885ALDH1A1 30/4885
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 LMNA 2250/4885MAPK1 4187/4885ALDH1A1 311/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 LMNA 4731/4885MAPK1 4265/4885ALDH1A1 104/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 LMNA 2250/4885MAPK1 4187/4885ALDH1A1 311/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT LMNA 1190/4885MAPK1 4633/4885ALDH1A1 245/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 LMNA 3316/4885MAPK1 861/4885ALDH1A1 647/4885

“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.