3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL6910979

CC(C)CC(=O)O.FC(F)Oc1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.48
ATM Q13315 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TEAD4 Q15561 1/20 0.43
TSHR P16473 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 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
Methyl Alcohol SCHEMBL28291167 0.79 MAPT (0.46) DAGLAATMMTNR1AMTNR1BMAPT
SCHEMBL1418060 0.78 MTNR1A (0.59) MTNR1AMTNR1BMAPTKMT2AMEN1
SCHEMBL153060 0.77 ALDH1A1 (0.50) ATMMAPTKMT2AMEN1ALDH1A1
SCHEMBL10455298 0.76 HDAC3 (0.54) ATMKMT2AMEN1ALDH1A1TSHR
3-Methylbutanoic Acid SCHEMBL27557875 0.76 POLB (0.43) ATMMTNR1AMTNR1BKMT2APOLB
SCHEMBL11078755 0.76 ALDH1A1 (0.45) DAGLAATMMAPTKMT2APOLB
SCHEMBL14518781 0.76 PDE4D (0.52) ATMMAPTKMT2APOLBMEN1
SCHEMBL10998901 0.76 ACACB (0.51) ATMFFAR1PPARGPPARA
SCHEMBL11078757 0.76 ACACB (0.51) ATMFFAR1PPARGPPARA
Formaldehyde SCHEMBL29144546 0.75 ALDH1A1 (0.46) ATMMAPTKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0143297-A1 In situ insecticide FEARING MANUFACTURING CO., INC. (US) 1985-06-05 EP claimed
US-20130210630-A1 SELF-EMULSIFYING OIL ISP INVESTMENTS INC. (DE) 2013-08-15 US disclosed
WO-2012003441-A1 SELF-EMULSIFYING OIL ISP INVESTMENTS INC. (US) 2012-01-05 WO disclosed
EP-1024691-A4 SOLUBLE POLYMER BASED MATRIX FOR CHEMICALLY ACTIVE WATER INSOLUBLE COMPONENTS ISP INVESTMENTS INC (US) 2004-08-18 EP disclosed
WO-2004010781-A1 AQUEOUS SUSPENSION AGENT FOR WATER INSOLUBLE COMPOUNDS ISP INVESTMENTS, INC. (US) 2004-02-05 WO disclosed
EP-0505378-B1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC (US) 2001-01-03 EP disclosed
EP-1024691-A1 SOLUBLE POLYMER BASED MATRIX FOR CHEMICALLY ACTIVE WATER INSOLUBLE COMPONENTS ISP INVESTMENTS INC. (US) 2000-08-09 EP disclosed
EP-0574492-B1 STABILIZATION OF MICROEMULSIONS USING HYDROPHOBIC ACID BUFFERS ISP INVESTMENTS INC (US) 1999-05-12 EP disclosed
WO-1998033378-A1 SOLUBLE POLYMER BASED MATRIX FOR CHEMICALLY ACTIVE WATER INSOLUBLE COMPONENTS ISP INVESTMENTS INC. (US) 1998-08-06 WO disclosed
US-5776856-A Soluble polymer based matrix for chemically active water insoluble components ISP INVESTMENTS INC. (US) 1998-07-07 US disclosed
US-5300529-A Stable, clear, efficacious aqueous microemulsion compositions containing a high loading of a water-insoluble, agriculturally active chemical ISP INVESTMENTS INC. (US) 1994-04-05 US disclosed
EP-0574492-A4 STABILIZATION OF MICROEMULSIONS USING HYDROPHOBIC ACID BUFFERS. ISP INVESTMENTS INC (US) 1994-03-17 EP disclosed
EP-0574492-A1 STABILIZATION OF MICROEMULSIONS USING HYDROPHOBIC ACID BUFFERS ISP INVESTMENTS INC. (US) 1993-12-22 EP disclosed
EP-0505378-A4 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS 1993-03-10 EP disclosed
WO-1993000809-A1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC. (US) 1993-01-21 WO disclosed
EP-0505378-A1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC. (US) 1992-09-30 EP disclosed
WO-1992013454-A1 STABILIZATION OF MICROEMULSIONS USING HYDROPHOBIC ACID BUFFERS ISP INVESTMENTS INC. (US) 1992-08-20 WO disclosed
US-5071463-A Stable, emulsifiable concentrate of an herbicide and pyrrolido ne derivative; dispersibility ISP INVESTMENTS INC. (US) 1991-12-10 US disclosed
WO-1991008665-A1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC. (US) 1991-06-27 WO disclosed
US-4762718-A In situ insecticide FEARING MANUFACTURING CO., INC. (US) 1988-08-09 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 (1 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-20130210630-A1 SELF-EMULSIFYING OIL PHOSPHO1, SQLE, ALOX15 DAGLA 15/4885ATM 2367/4885MTNR1A 4212/4885

“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.