SCHEMBL406382

SCHEMBL406382

CCCC(=O)OCOC(=O)CCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
TDP1 Q9NUW8 4/20 0.56
HDAC3 O15379 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
ADRA1A P35348 1/20 0.55
SLC6A3 Q01959 1/20 0.55
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52

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
SCHEMBL4606935 0.88 HDAC1 (0.56) ALOX5TDP1HDAC3HDAC1HDAC2
SCHEMBL27825851 0.87 HDAC1 (0.55) ALOX5TDP1HDAC3HDAC1HDAC2
SCHEMBL8817029 0.87 TDP1 (0.66) ALOX5TDP1HDAC3HDAC1HDAC2
SCHEMBL3954435 0.87 TDP1 (0.66) ALOX5TDP1HDAC3HDAC1HDAC2
SCHEMBL260297 0.86 ALOX5 (0.76) ALOX5TDP1HDAC3HDAC1HDAC2
SCHEMBL22518642 0.85 TDP1 (0.64) ALOX5TDP1HDAC3HDAC1HDAC2
SCHEMBL1629040 0.85 TDP1 (0.64) ALOX5TDP1HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL27794216 0.85 ALOX5 (0.74) ALOX5TDP1HDAC3HDAC1HDAC2
SCHEMBL28011381 0.84 ALOX5 (0.54) ALOX5TDP1HDAC3HDAC1HDAC2
SCHEMBL3784212 0.84 ALDH1A1 (0.56) ALOX5ADRB2ADRB1ADRB3MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838522-B1 PHENYLBUTYRATE FOR THE TREATMENT OF MEDIUM-CHAIN ACYL-COA DEHYDROGENASE DEFICIENCY UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2024-02-21 EP claimed
US-11786494-B2 Methods of modulation of branched chain acids and uses thereof BAYLOR COLLEGE OF MEDICINE (US) 2023-10-17 US claimed
US-20200147016-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF ACER THERAPEUTICS INC. 2020-05-14 US claimed
US-20190151268-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF ACER THERAPEUTICS INC. 2019-05-23 US claimed
EP-2456304-B1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF BAYLOR COLLEGE MEDICINE (US) 2015-08-19 EP claimed
US-20240238230-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF BAYLOR COLLEGE OF MEDICINE 2024-07-18 US disclosed
EP-2838522-B1 PHENYLBUTYRATE FOR THE TREATMENT OF MEDIUM-CHAIN ACYL-COA DEHYDROGENASE DEFICIENCY UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2024-02-21 EP disclosed
US-11786494-B2 Methods of modulation of branched chain acids and uses thereof BAYLOR COLLEGE OF MEDICINE (US) 2023-10-17 US disclosed
CN-113995743-A Therapeutic monitoring of phenylacetic acid prodrugs 伊梅尔迪卡制药公司 2022-02-01 CN disclosed
CN-111991383-A Therapeutic monitoring of phenylacetic acid prodrugs 伊梅尔迪卡制药公司 2020-11-27 CN disclosed
EP-3222275-B1 METHODS OF THERAPEUTIC MONITORING OF PHENYLACETIC ACID PRODRUGS IMMEDICA PHARMA AB (SE) 2020-06-24 EP disclosed
US-20200147016-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF ACER THERAPEUTICS INC. 2020-05-14 US disclosed
US-20120022157-A1 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS UCYCLYD PHARMA, INC (US) 2012-01-26 US disclosed
EP-2338050-A1 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS Ucyclyd Pharma, Inc. (US) 2011-06-29 EP disclosed
EP-2330892-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS Ucyclyd Pharma, Inc. (US) 2011-06-15 EP disclosed
WO-2011011781-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2011-01-27 WO disclosed
WO-2010025303-A9 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS HYPERION THERAPEUTICS (US) 2010-06-24 WO disclosed
WO-2010025303-A1 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS HYPERION THERAPEUTICS (US) 2010-03-04 WO disclosed
US-20100008859-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS HORIZON THERAPEUTICS U.S. HOLDING LLC 2010-01-14 US disclosed
WO-2009134460-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS HYPERION THERAPEUTICS (US) 2009-11-05 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 (6 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-20190151268-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF OAT, ABAT, BCKDK ALOX5 2116/4885TDP1 2958/4885HDAC3 2581/4885
US-20240238230-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF OAT, ABAT, BCKDK ALOX5 2116/4885TDP1 2958/4885HDAC3 2581/4885
US-20120022157-A1 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS PLPBP, GLS, NPPA ALOX5 1418/4885TDP1 2419/4885HDAC3 825/4885
US-20100008859-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS OAT, SLC1A5, GLS ALOX5 1232/4885TDP1 2116/4885HDAC3 551/4885
US-20200147016-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF OAT, ABAT, BCKDK ALOX5 2116/4885TDP1 2958/4885HDAC3 2581/4885
US-11786494-B2 Methods of modulation of branched chain acids and uses thereof OAT, ABAT, BCKDK ALOX5 2116/4885TDP1 2958/4885HDAC3 2581/4885

“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.