Acetic Acid

Acetic Acid

SCHEMBL6955381

CC(=O)O.CN(C)C1CCc2oc3ccc(NC(=O)C4CCC4)cc3c2C1

nearest known ligand 0.45

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
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
HTR1F P30939 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
GBA1 P04062 1/20 0.39
GLA P06280 1/20 0.39
ULK1 O75385 1/20 0.38
THRB P10828 1/20 0.38

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
Acetic Acid SCHEMBL30909179 1.00 SMN1; SMN2 (0.45) SMN1; SMN2GAAKDM4EALDH1A1LMNA
SCHEMBL6957421 0.97 SMN1; SMN2 (0.47) SMN1; SMN2GAAKDM4EALDH1A1LMNA
SCHEMBL6961514 0.94 ALDH1A1 (0.47) SMN1; SMN2GAAKDM4EALDH1A1LMNA
SCHEMBL30909046 0.94 ALDH1A1 (0.47) SMN1; SMN2GAAKDM4EALDH1A1LMNA
SCHEMBL6956061 0.93 SMN1; SMN2 (0.48) SMN1; SMN2GAAKDM4EALDH1A1LMNA
SCHEMBL30909298 0.86 HTR1F (0.45) SMN1; SMN2GAAKDM4EALDH1A1TP53
SCHEMBL6962417 0.86 HTR1F (0.45) SMN1; SMN2GAAKDM4EALDH1A1TP53
SCHEMBL30908849 0.82 HTR1F (0.53) SMN1; SMN2GAAHTTNPC1TP53
SCHEMBL6956818 0.82 HTR1F (0.53) SMN1; SMN2GAAHTTNPC1TP53
SCHEMBL30909221 0.81 HTR1F (0.43) SMN1; SMN2GAAKDM4EALDH1A1TP53

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-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ LP (CA) 2026-05-07 US disclosed
EP-0929299-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRO-2-DIBENZOFURANAMINES AND 2-AMINOCYCLOHEPTA(b)BENZOFURANS LILLY CO ELI (US) 2003-10-08 EP disclosed
US-5935992-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-10 US disclosed
US-5932739-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-03 US disclosed
US-5846995-A Substituted 1, 2, 3, 4-tetrahydro-2-dibenzofuranamines and 2-amino-cyclohepta (6, 7-B) Benzofurans ELI LILLY AND COMPANY (US) 1998-12-08 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-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS HTR1F, HTR1A, HTR1D SMN1; SMN2 783/4885GAA 4835/4885KDM4E 3551/4885

“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.