Valeric Acid

Valeric Acid

SCHEMBL21145154

CCCCC(=O)O.c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 6/20 0.50
TSHR P16473 5/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50
PDE4A P27815 1/20 0.50

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
Hexanoate SCHEMBL21145144 0.94 AKR1B1 (0.61) AKR1B1CES2CES1GPR84PPARG
Dodecanoate SCHEMBL21145170 0.92 GPR84 (0.63) AKR1B1CES2CES1GPR84PPARG
Heptanoate SCHEMBL21145130 0.92 GPR84 (0.63) AKR1B1CES2CES1GPR84PPARG
Nonanoate SCHEMBL21145165 0.92 GPR84 (0.63) AKR1B1CES2CES1GPR84PPARG
Octanoic Acid SCHEMBL21145110 0.92 GPR84 (0.63) AKR1B1CES2CES1GPR84PPARG
Decanoic Acid SCHEMBL21145169 0.92 GPR84 (0.63) AKR1B1CES2CES1GPR84PPARG
Undecanoate SCHEMBL21145292 0.92 GPR84 (0.63) AKR1B1CES2CES1GPR84PPARG
Butyric Acid SCHEMBL21145323 0.88 TP53 (0.58) CES2CES1HDAC11TSHRALDH1A1
Oleic Acid SCHEMBL27870420 0.84 PPARG (0.70) PPARGPPARDPPARATSHRPTPN1
Biphenyl SCHEMBL27377379 0.83 AKR1B1 (0.56) AKR1B1CES2CES1GPR84PPARG

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-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2020-06-11 US disclosed
US-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-08-08 US disclosed
EP-3518878-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION Henkel AG & Co. KGaA (DE) 2019-08-07 EP disclosed
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 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 (4 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-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, S100A10 AKR1B1 1783/4885CES2 3526/4885CES1 4191/4885
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, SRRM2, IK AKR1B1 1502/4885CES2 3782/4885CES1 4085/4885
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA AKR1B1 1731/4885CES2 3487/4885CES1 4745/4885
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, DSG1 AKR1B1 1397/4885CES2 3443/4885CES1 4581/4885

“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.