Acetic Acid

Acetic Acid

SCHEMBL4347583

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CCON(CCNCCN)Cc1ccccc1.CCON(CCNCCN)Cc1ccccc1.CCON(CCNCCN)Cc1ccccc1.[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3]

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 16)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.45
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 6/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA4 P22748 2/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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 SCHEMBL27681175 0.94 REN (0.48) RENBACE1ALDH1A1NPC1RAB9A
Acetic Acid SCHEMBL4347586 0.93 REN (0.47) RENBACE1ALDH1A1NPC1RAB9A
SCHEMBL29700371 0.91 CARM1 (0.42) RENBACE1ALDH1A1CARM1PRMT6
SCHEMBL27775729 0.90 CARM1 (0.41) RENBACE1ALDH1A1CARM1PRMT6
Acetic Acid SCHEMBL27464542 0.77 REN (0.41) RENBACE1NPC1RAB9ACARM1
Acetic Acid SCHEMBL27517314 0.75 CARM1 (0.58) RENCARM1PRMT6PRMT8TMEM97
Acetic Acid SCHEMBL28847873 0.75 REN (0.49) RENBACE1NPC1RAB9ACARM1
SCHEMBL1703434 0.74 CARM1 (0.45) CARM1PRMT6PRMT8SIGMAR1
Acetic Acid SCHEMBL28850624 0.72 REN (0.39) RENBACE1NPC1RAB9ACA12
Acetic Acid SCHEMBL31201831 0.71 KMT2A (0.52) ALDH1A1CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053968-A2 METHODS FOR LYMPH SYSTEM IMAGING EPIX Pharmaceuticals, Inc. (US) 2009-05-06 EP disclosed
WO-2008022263-A2 METHODS FOR LYMPH SYSTEM IMAGING EPIX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
US-20080044358-A1 METHODS FOR LYMPH SYSTEM IMAGING LANTHEUS MEDICAL IMAGING, INC. 2008-02-21 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-20080044358-A1 METHODS FOR LYMPH SYSTEM IMAGING LTA, CCR3, ABHD12 REN 3763/4885BACE1 4864/4885ALDH1A1 4208/4885

“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.