Hexanoate

Hexanoate

SCHEMBL3278765

CCCCCC(=O)O.NC(=O)CCCCC(S)CCS

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.51
FFAR1 O14842 2/20 0.51
AKR1B1 P15121 1/20 0.50
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48

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
SCHEMBL12506523 0.85 FFAR4 (0.69) FFAR4FFAR1AKR1B1KMT2AMAPT
SCHEMBL11749293 0.85 FFAR4 (0.69) FFAR4FFAR1AKR1B1KMT2AMAPT
SCHEMBL2349520 0.85 FFAR4 (0.69) FFAR4FFAR1AKR1B1KMT2AMAPT
SCHEMBL10942819 0.85 FFAR4 (0.69) FFAR4FFAR1AKR1B1KMT2AMAPT
SCHEMBL21772258 0.85 FFAR4 (0.69) FFAR4FFAR1AKR1B1KMT2AMAPT
SCHEMBL29962629 0.85 FFAR4 (0.69) FFAR4FFAR1AKR1B1KMT2AMAPT
SCHEMBL12384963 0.85 FFAR4 (0.69) FFAR4FFAR1AKR1B1KMT2AMAPT
SCHEMBL37411 0.85 ENPEP (0.39) KMT2AMEN1ALOX15ENPEP
Dihydrolipoic Acid SCHEMBL1115003 0.85 FOLH1 (0.56) FFAR4FFAR1TSHRSLC22A6ENPEP
Dihydrolipoic Acid SCHEMBL618576 0.85 FOLH1 (0.56) FFAR4FFAR1TSHRSLC22A6ENPEP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF SENJU PHARMACEUTICAL CO. LTD. (JP) 2010-06-17 US disclosed
US-7700080-B2 Method of suppressing melanin production by metal chelates of lipoyl amino acid derivatives SENJU PHARMACEUTICAL CO., LTD. (JP) 2010-04-20 US disclosed
EP-1371640-B1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF SENJU PHARMA CO (JP) 2009-10-28 EP disclosed
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 US disclosed
EP-1371640-A1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 2003-12-17 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 (2 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-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF TYR, SERPINB1, LPO FFAR4 4392/4885FFAR1 2804/4885AKR1B1 1677/4885
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof TYR, SERPINB1, LPO FFAR4 4107/4885FFAR1 2203/4885AKR1B1 1774/4885

“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.