Valeric Acid

Valeric Acid

SCHEMBL566579

CC(=O)O.CCC(=O)O.CCCCC(=O)O

nearest known ligand 0.67

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Valeric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 1/20 0.64
AKR1B1 P15121 1/20 0.67
GPR84 Q9NQS5 7/20 0.64
PPARG P37231 7/20 0.64
PPARD Q03181 7/20 0.64
PPARA Q07869 7/20 0.64
HDAC11 Q96DB2 5/20 0.64
TSHR P16473 4/20 0.64
PTPN1 P18031 3/20 0.64
FABP4 P15090 3/20 0.64
ALDH1A1 P00352 2/20 0.64
TLR2 O60603 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
KMT2A Q03164 2/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
SLC22A8 Q8TCC7 1/20 0.64
MEN1 O00255 1/20 0.64
PDE4A P27815 1/20 0.64

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
Valeric Acid SCHEMBL9561300 0.95 FFAR3 (0.62) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL28060341 0.95 AKR1B1 (0.74) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL2825806 0.95 AKR1B1 (0.74) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL50167 0.95 AKR1B1 (0.74) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL386697 0.95 AKR1B1 (0.74) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL4631679 0.92 AKR1B1 (0.80) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL27891484 0.91 AKR1B1 (0.70) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL4630382 0.90 GPR84 (0.81) AKR1B1GPR84PPARGPPARDPPARA
Nonanoate SCHEMBL4631675 0.90 GPR84 (0.81) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL4631132 0.90 GPR84 (0.81) AKR1B1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504640-B2 Modified release formulations of a bupropion salt VALEANT PHARMACEUTICALS LUXEMBOURG S.Á.R.L. (LU) 2016-11-29 US disclosed
US-20150202147-A1 Modified Release Formulations Of A Bupropion Salt VALEANT INTERNATIONAL BERMUDA (BM) 2015-07-23 US disclosed
US-8932628-B2 Modified release formulations of a bupropion salt VALEANT INTERNATIONAL BERMUDA (BM) 2015-01-13 US disclosed
US-20140242063-A1 PHARMACEUTICAL COMPOSITIONS VALEANT LABORATORIES INTERNATIONAL BERMUDA (BM) 2014-08-28 US disclosed
US-20140170216-A1 BUPROPION HYDROBROMIDE POLYMORPHS VALEANT INTERNATIONAL BERMUDA (BM) 2014-06-19 US disclosed
US-20140030249-A1 Pharmaceutical Compositions VALEANT INTERNATIONAL BERMUDA (BM) 2014-01-30 US disclosed
US-8604085-B2 Bupropion hydrobromide polymorphs VALEANT INTERNATIONAL BERMUDA (BM) 2013-12-10 US disclosed
US-20130266650-A1 BUPROPION HYDROBROMIDE AND THERAPEUTIC APPLICATIONS JACKSON GRAHAM (BB) 2013-10-10 US disclosed
US-20130059005-A1 BUPROPION HYDROBROMIDE POLYMORPHS JPMORGAN CHASE BANK, N.A. 2013-03-07 US disclosed
US-8354453-B2 Bupropion hydrobromide and therapeutic applications VALEANT INTERNATIONAL BERMUDA (BM) 2013-01-15 US disclosed
CN-1434108-A Trigger response composition ROHM & HAAS (US) 2003-08-06 CN disclosed
EP-1331262-A1 Triggered response compositions ROHM AND HAAS COMPANY (US) 2003-07-30 EP disclosed
EP-0612520-B1 PH-triggered osmotic bursting delivery devices PFIZER (US) 2001-07-11 EP disclosed
EP-0711146-B1 OSMOTIC DEVICE HAVING A VAPOR-PERMEABLE COATING PFIZER (US) 2000-09-06 EP disclosed
US-5827538-A CONTROLLED RELEASE OF THE WATER-INSOLUBLE CORE AFTER IMBIBEMENT OF WATER VAPOR AND WETTING OF A POROUS WALL OF SEMIPERMEABLE HYDROPHOBIC MEMBRANE IMPERVIOUS TO LIQUID WATER; DRUG DELIVERY PFIZER INC. (US) 1998-10-27 US disclosed
US-5609590-A PH-triggered osmotic bursting delivery devices PFIZER INC. (US) 1997-03-11 US disclosed
EP-0711146-A1 OSMOTIC DEVICES HAVING VAPOR-PERMEABLE COATINGS PFIZER INC. (US) 1996-05-15 EP disclosed
WO-1995003033-A1 OSMOTIC DEVICES HAVING VAPOR-PERMEABLE COATINGS PFIZER INC. (US) 1995-02-02 WO disclosed
US-5358502-A PH-triggered osmotic bursting delivery devices PFIZER INC (US) 1994-10-25 US disclosed
EP-0612520-A2 PH-triggered osmotic bursting delivery devices PFIZER INC. (US) 1994-08-31 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 (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-20150202147-A1 Modified Release Formulations Of A Bupropion Salt SLC6A2, SLC6A3, SLC6A11 ESR1 3258/4885AKR1B1 1063/4885GPR84 1012/4885
US-20140170216-A1 BUPROPION HYDROBROMIDE POLYMORPHS SLC6A3, GABBR1, SLC6A2 ESR1 2318/4885AKR1B1 652/4885GPR84 2855/4885
US-20130059005-A1 BUPROPION HYDROBROMIDE POLYMORPHS SLC6A3, GABBR1, SLC6A2 ESR1 2318/4885AKR1B1 652/4885GPR84 2855/4885
US-20140030249-A1 Pharmaceutical Compositions HTT, ATXN10, TTR ESR1 4732/4885AKR1B1 3769/4885GPR84 1137/4885
US-20140242063-A1 PHARMACEUTICAL COMPOSITIONS HTT, ATXN10, TTR ESR1 4732/4885AKR1B1 3769/4885GPR84 1137/4885
US-20130266650-A1 BUPROPION HYDROBROMIDE AND THERAPEUTIC APPLICATIONS GABBR1, SLC6A2, GABBR2 ESR1 1997/4885AKR1B1 854/4885GPR84 1621/4885

“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.