Acetic Acid

Acetic Acid

SCHEMBL5699533

CC(=O)O.CC(C)C(C)NC(C)C(C)C

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
TP53 P04637 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HCAR3 P49019 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CA2 P00918 1/20 0.30
PTGS1 P23219 1/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL122330 0.79 TDP1 (0.39) ALDH1A1TDP1TSHR
SCHEMBL14930532 0.77 TP53 (0.38) TP53SLC7A5
Acetic Acid SCHEMBL23797687 0.75 FFAR3 (0.64) FFAR3LCKFYNTP53SLC7A5
Hydrochloric Acid SCHEMBL8779799 0.75 TDP1 (0.36) ALDH1A1TDP1TSHR
Acetic Acid SCHEMBL1114492 0.73 TDP1 (0.57) FFAR3LCKFYNTP53CYP2D6
Acetic Acid SCHEMBL29173803 0.73 TDP1 (0.57) FFAR3LCKFYNTP53CYP2D6
Acetic Acid SCHEMBL28696323 0.71 FFAR3 (0.70) FFAR3LCKFYNTP53SLC7A5
Acetic Acid SCHEMBL29169948 0.71 TDP1 (0.53) FFAR3LCKFYNTP53CYP2D6
SCHEMBL12295867 0.69
Acetic Acid SCHEMBL18528147 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060204985-A1 Method of hybridizing genes SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-09-14 US claimed
EP-1688505-A2 Method of hybridizing nucleic acids Samsung Electronics Co., Ltd. (KR) 2006-08-09 EP claimed
US-20060204985-A1 Method of hybridizing genes SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-09-14 US disclosed
EP-1688505-A2 Method of hybridizing nucleic acids Samsung Electronics Co., Ltd. (KR) 2006-08-09 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 (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-20060204985-A1 Method of hybridizing genes RIOX2, F13A1, MRPL21 FFAR3 2541/4885LCK 4824/4885FYN 4837/4885

“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.