SCHEMBL1913845

SCHEMBL1913845

CCCCCCC(C(C)C)C(CN)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.50
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
MMP2 P08253 5/20 0.40
MMP3 P08254 5/20 0.40
MMP1 P03956 3/20 0.40
MMP7 P09237 1/20 0.40
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL27598639 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ACE2MMP2
SCHEMBL3119971 0.98 GPR84 (0.47) GPR84FFAR1FFAR4ACE2MMP2
SCHEMBL1913746 0.93 GPR84 (0.41) GPR84S1PR2S1PR1
SCHEMBL1913911 0.86 CACNA2D1 (0.40) GPR84
SCHEMBL25328535 0.79 GPR84 (0.60) GPR84FFAR1FFAR4ACE2MMP2
SCHEMBL1913657 0.79 CACNA2D1 (0.42)
SCHEMBL5250109 0.79 GPR84 (0.60) GPR84FFAR1FFAR4ACE2MMP2
SCHEMBL27929430 0.79 GPR84 (0.60) GPR84FFAR1FFAR4ACE2MMP2
SCHEMBL5962578 0.77 GPR84 (0.53) GPR84FFAR1FFAR4ACE2MMP2
SCHEMBL5962560 0.77 GPR84 (0.53) GPR84FFAR1FFAR4ACE2MMP2

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 113 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
US-8722669-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-13 US claimed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 WO claimed
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 US claimed
EP-2509596-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS Case Western Reserve University (US) 2012-10-17 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-20040006073-A1 Method of treating attention deficit hyperactivity disorder DOOLEY DAVID JAMES (US) 2004-01-08 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

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 GPR84 994/4885FFAR1 1086/4885FFAR4 2662/4885
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 GPR84 48/4885FFAR1 37/4885FFAR4 126/4885
US-10272106-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 GPR84 48/4885FFAR1 37/4885FFAR4 126/4885
US-20170239196-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 GPR84 1275/4885FFAR1 1341/4885FFAR4 1877/4885
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT GPR84 419/4885FFAR1 446/4885FFAR4 1073/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 GPR84 866/4885FFAR1 547/4885FFAR4 962/4885
US-20170196908-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 GPR84 48/4885FFAR1 37/4885FFAR4 126/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT GPR84 419/4885FFAR1 446/4885FFAR4 1073/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 GPR84 994/4885FFAR1 1086/4885FFAR4 2662/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 GPR84 848/4885FFAR1 1900/4885FFAR4 1436/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 GPR84 119/4885FFAR1 233/4885FFAR4 622/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT GPR84 419/4885FFAR1 446/4885FFAR4 1073/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 GPR84 48/4885FFAR1 37/4885FFAR4 126/4885

“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.