3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL503119

CC(C)CC(=O)O.CCCCCCC

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 11/20 0.59
PPARG P37231 7/20 0.54
PPARD Q03181 7/20 0.54
PPARA Q07869 7/20 0.54
HDAC11 Q96DB2 5/20 0.54
TSHR P16473 4/20 0.54
PTPN1 P18031 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TLR2 O60603 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
FABP4 P15090 2/20 0.54
KMT2A Q03164 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
MEN1 O00255 1/20 0.54
ESR1 P03372 1/20 0.54
ALOX15 P16050 1/20 0.54
PDE4A P27815 1/20 0.54
PDE3A Q14432 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
Hexadecane SCHEMBL27840691 1.00 GPR84 (0.59) GPR84PPARGPPARDPPARAHDAC11
Octane SCHEMBL2717632 1.00 GPR84 (0.59) GPR84PPARGPPARDPPARAHDAC11
3-Methylbutanoic Acid SCHEMBL627178 0.97 GPR84 (0.56) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL15527828 0.91 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL15528050 0.91 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL15528089 0.91 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Undecanoate SCHEMBL15528113 0.91 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
3-Methylbutanoic Acid SCHEMBL28019449 0.91 TSHR (0.54) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL7904664 0.89 AKR1B1 (0.70) GPR84PPARGPPARDPPARAHDAC11
3-Methylbutanoic Acid SCHEMBL28831370 0.88 KDM5A (0.50) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915898-B1 CRYSTAL FORM I OF CLARITHROMYCIN ABBOTT LAB (US) 2003-12-03 EP claimed
EP-3450431-B1 PROCESS FOR THE PRODUCTION OF ALPHA-TOCOTRIENOL AND DERIVATIVES PTC THERAPEUTICS INC (US) 2023-09-13 EP disclosed
US-20220204469-A1 PROCESS FOR THE PRODUCTION OF ALPHA-TOCOTRIENOL AND DERIVATIVES PTC THERAPEUTICS, INC. 2022-06-30 US disclosed
US-11312697-B2 Process for the production of alpha-tocotrienol and derivatives PTC THERAPEUTICS, INC. (US) 2022-04-26 US disclosed
US-11279735-B2 Cyclic peptide antibiotics GENENTECH, INC. (US) 2022-03-22 US disclosed
EP-3137461-B1 METHOD OF PREPARING AN OPTICALLY ACTIVE PDE10 INHIBITOR OMEROS CORP (US) 2021-08-11 EP disclosed
US-20210009560-A1 CRYSTALLINE FORMS OF MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2021-01-14 US disclosed
US-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-10-22 US disclosed
WO-2019191620-A1 CRYSTALLINE FORMS OF MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-03 WO disclosed
EP-3137462-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF A PDE10 INHIBITOR OMEROS CORP (US) 2019-01-30 EP disclosed
EP-2362875-B1 PROCESS FOR THE PRODUCTION OF ALPHA-TOCOTRIENOL AND DERIVATIVES EDISON PHARMACEUTICALS INC (US) 2015-08-19 EP disclosed
US-20140221674-A1 PROCESS FOR THE PRODUCTION OF ALPHA-TOCOTRIENOL AND DERIVATIVES EDISON PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-8575369-B2 Process for the production of alpha-tocotrienol and derivatives EDISON PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20120130093-A1 PROCESS FOR THE PRODUCTION OF ALPHA-TOCOTRIENOL AND DERIVATIVES PTC THERAPEUTICS, INC. 2012-05-24 US disclosed
US-8106223-B2 Process for the production of alpha-tocotrienol and derivatives EDISON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100105930-A1 PROCESS FOR THE PRODUCTION OF ALPHA-TOCOTRIENOL AND DERIVATIVES PTC THERAPEUTICS, INC. 2010-04-29 US disclosed
EP-2142497-A1 NEW METHODS Novartis Ag (CH) 2010-01-13 EP disclosed
WO-2008119804-A1 NEW METHODS NOVARTIS AG (CH) 2008-10-09 WO disclosed
US-20070225499-A1 Process for the Preparation of 2,2-Disubstituted Pyrroles MERCK & CO., INC. 2007-09-27 US disclosed
US-20050038074-A1 Mitotic kinesin inhibitors COLEMAN PAUL J (US) 2005-02-17 US 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 (10 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-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP GPR84 2132/4885PPARG 1675/4885PPARD 1491/4885
US-20220204469-A1 PROCESS FOR THE PRODUCTION OF ALPHA-TOCOTRIENOL AND DERIVATIVES TTPA, LCAT, PCTP GPR84 2001/4885PPARG 654/4885PPARD 501/4885
US-20070225499-A1 Process for the Preparation of 2,2-Disubstituted Pyrroles KIF5B, KIF5A, KIF5C GPR84 3501/4885PPARG 4459/4885PPARD 4237/4885
US-20210009560-A1 CRYSTALLINE FORMS OF MODULATORS OF CFTR CFTR, SLC26A4, CLCN2 GPR84 1563/4885PPARG 266/4885PPARD 378/4885
US-11312697-B2 Process for the production of alpha-tocotrienol and derivatives TTPA, LCAT, PCTP GPR84 2001/4885PPARG 654/4885PPARD 501/4885
US-20140221674-A1 PROCESS FOR THE PRODUCTION OF ALPHA-TOCOTRIENOL AND DERIVATIVES TTPA, LCAT, PCTP GPR84 2001/4885PPARG 654/4885PPARD 501/4885
US-20120130093-A1 PROCESS FOR THE PRODUCTION OF ALPHA-TOCOTRIENOL AND DERIVATIVES TTPA, LCAT, PCTP GPR84 2001/4885PPARG 654/4885PPARD 501/4885
US-11279735-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP GPR84 2132/4885PPARG 1675/4885PPARD 1491/4885
US-20050038074-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B GPR84 3486/4885PPARG 3758/4885PPARD 3886/4885
US-20100105930-A1 PROCESS FOR THE PRODUCTION OF ALPHA-TOCOTRIENOL AND DERIVATIVES TTPA, LCAT, PCTP GPR84 2001/4885PPARG 654/4885PPARD 501/4885

“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.