Acetic Acid

Acetic Acid

SCHEMBL3219405

CC(=O)O.COc1ccccc1CN1Cc2ccccc2N=C1NCC(C)C

nearest known ligand 0.42

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 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2D6 P10635 3/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL4761613 0.94 GRIN2B (0.38) HTTHPGDMAPK1MEN1KMT2A
Acetic Acid SCHEMBL3195788 0.83 MAPK1 (0.53) MAPK1MEN1KMT2ACYP2D6TSHR
Acetic Acid SCHEMBL3221646 0.82 ALDH1A1 (0.42) HTTMAPK1MEN1KMT2ACYP2D6
SCHEMBL3214830 0.81 GRIN2B (0.40) MAPK1MEN1KMT2ACYP2D6TSHR
Hydrochloric Acid SCHEMBL3211777 0.79 LMNA (0.42) HTTHPGDMAPK1MEN1KMT2A
SCHEMBL4713958 0.79 TLR7 (0.46) CYP2D6TSHRALDH1A1MAPTCYP3A4
Hydrochloric Acid SCHEMBL3210882 0.78 TLR7 (0.46) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL4715918 0.77 MEN1 (0.42) MAPK1MEN1KMT2ACYP2D6TSHR
SCHEMBL4718399 0.77 MAPK1 (0.51) MAPK1MEN1KMT2ACYP2D6TSHR
Hydrochloric Acid SCHEMBL3211750 0.76 MEN1 (0.41) MAPK1MEN1KMT2ACYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 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 (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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C HTT 75/4885HPGD 1244/4885MAPK1 2132/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C HTT 75/4885HPGD 1244/4885MAPK1 2132/4885

“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.