SCHEMBL3976159

SCHEMBL3976159

CC(C)(C)C#Cc1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.65
RARG P13631 2/20 0.65
PTGES O14684 1/20 0.56
ALOX5 P09917 1/20 0.56
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
HAO1 Q9UJM8 1/20 0.48
PTPN11 Q06124 1/20 0.47
SRD5A2 P31213 3/20 0.46
CYP26A1 O43174 1/20 0.45
CYP3A4 P08684 1/20 0.45
RARA P10276 1/20 0.45
CRABP2 P29373 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACACB O00763 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
CA1 P00915 3/20 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
SCHEMBL22442356 0.86 RARB (0.62) RARBRARGPTGESALOX5TSHR
SCHEMBL13597752 0.84 RARB (0.46) RARBRARGPTGESALOX5HAO1
SCHEMBL69572 0.80 RARB (0.69) RARBRARGTSHRTP53PTPN11
SCHEMBL29789030 0.80 RARB (0.69) RARBRARGTSHRTP53PTPN11
SCHEMBL4491026 0.80 RARB (0.55) RARBRARGPTGESALOX5TSHR
SCHEMBL4954449 0.80 HRH3 (0.47) RARBRARGPTGESALOX5HAO1
SCHEMBL12692259 0.79 MAPT (0.46) RARBRARGPTGESALOX5HAO1
SCHEMBL9425762 0.78 RARB (1.00) RARBRARGPTGESALOX5PTPN11
Hydrochloric Acid SCHEMBL5666955 0.78 RARB (0.67) RARBRARGTSHRTP53PTPN11
SCHEMBL3934628 0.78 HAO1 (0.49) RARBRARGTP53HAO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014841-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases HU LAIN-YEN (US) 2005-01-20 US claimed
US-6809119-B2 FOR USE AS AS NEURO-PROTECTIVE AGENTS FOR THERAPY OF CONDITIONS SUCH AS STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMINOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE WARNER-LAMBERT COMPANY LLC 2004-10-26 US claimed
US-20030149110-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases HU LAIN-YEN (US) 2003-08-07 US claimed
WO-2003045902-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO claimed
EP-1314723-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 2003-05-28 EP claimed
WO-2020236828-A1 NARROW EMISSION DYES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR MAKING AND USING SAME NIRVANA SCIENCES INC. (US) 2020-11-26 WO disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
EP-1680109-A4 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS INC (US) 2009-05-06 EP disclosed
US-20080312237-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-12-18 US disclosed
US-20080312237-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-12-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
EP-1680109-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2006-07-19 EP disclosed
US-20050222200-A1 AMIDE DERIVATIVES AS ION CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2005-10-06 US disclosed
WO-2005046683-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2005-05-26 WO disclosed
US-20050014841-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases HU LAIN-YEN (US) 2005-01-20 US disclosed
US-6809119-B2 FOR USE AS AS NEURO-PROTECTIVE AGENTS FOR THERAPY OF CONDITIONS SUCH AS STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMINOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE WARNER-LAMBERT COMPANY LLC 2004-10-26 US disclosed
US-20030149110-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases HU LAIN-YEN (US) 2003-08-07 US disclosed
WO-2003045902-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed
EP-1314723-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 2003-05-28 EP 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-20030149110-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT RARB 2108/4885RARG 2141/4885PTGES 1065/4885
US-20050014841-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT RARB 2108/4885RARG 2141/4885PTGES 1065/4885
US-20080312237-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 RARB 3168/4885RARG 2744/4885PTGES 201/4885
US-20050222200-A1 AMIDE DERIVATIVES AS ION CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 RARB 3754/4885RARG 3308/4885PTGES 253/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 RARB 3168/4885RARG 2744/4885PTGES 201/4885

“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.