Butyric Acid

Butyric Acid

SCHEMBL2453570

CCCC(=O)O.NC(=O)c1ncc[nH]1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.43
FFAR3 O14843 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
KMT2A Q03164 1/20 0.36
XDH P47989 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
TLK2 Q86UE8 1/20 0.32
FPR2 P25090 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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 SCHEMBL9359564 0.89 TBXAS1 (0.50) TBXAS1KMT2AXDHPDE4AALDH1A1
Decanoic Acid SCHEMBL9359579 0.88 TBXAS1 (0.52) TBXAS1KMT2AXDHPDE4AALDH1A1
Malonic Acid SCHEMBL27504201 0.83 NPC1 (0.41) TBXAS1HDAC1NPC1RAB9ACSNK1A1
SCHEMBL9786602 0.80
Butyric Acid SCHEMBL27654245 0.78 ALDH1A1 (0.57) TBXAS1FFAR3HDAC3HDAC1HDAC2
Pyrrole SCHEMBL1577642 0.78 CSNK1A1 (0.44) TBXAS1NPC1RAB9ACSNK1A1TYRO3
SCHEMBL7574578 0.78 NPC1 (0.46) TBXAS1NPC1RAB9AKMT2ATLK2
Butyric Acid SCHEMBL28994918 0.77 TBXAS1 (0.57) TBXAS1FFAR3HDAC3HDAC1HDAC2
SCHEMBL27936752 0.76 NPC1 (0.45) HDAC1NPC1RAB9ACSNK1A1TYRO3
Pyridine SCHEMBL6603891 0.76 CSNK1A1 (0.42) TBXAS1NPC1RAB9ACSNK1A1TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110295014-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-01 US disclosed
US-8022220-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2011-09-20 US disclosed
US-20100010227-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-01-14 US disclosed
US-7560561-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2009-07-14 US disclosed
EP-0877733-B1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES AMR TECHNOLOGY INC (US) 2006-08-09 EP disclosed
US-6974872-B2 Process for production of piperidine derivatives AMR TECHNOLOGY, INC. (US) 2005-12-13 US disclosed
US-20050272771-A1 Process for production of piperidine derivatives AMR TECHNOLOGY, INC. (US) 2005-12-08 US disclosed
EP-1362849-A2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2003-11-19 EP disclosed
US-20030171590-A1 Process for production of piperidine derivatives APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2003-09-11 US disclosed
US-6452011-B1 NON-SEDATING ANTI-HISTAMINE H1 ANTAGONIST ALBANY MOLECULAR RESEARCH, INC. 2002-09-17 US disclosed
US-6448406-B1 IMPROVED PROCESS FOR PREPARATION OF TERFENADINE CARBOXYLIC ACID METABOLITE AND CAREBASTINE DERIVATIVES; HISTAMINE H1 RECEPTOR BLOCKING AND CALCIUM ANTAGONISTS; RESPIRATORY, ALLERGIC, AND CARDIOVASCULAR DISEASE STATES ALBANY MOLECULAR RESEARCH, INC. 2002-09-10 US disclosed
US-6201124-B1 CONVERTING, WITH A PIPERIDINE COMPOUND, REGIOISOMERS UNDER NON-FRIEDEL-CRAFTS REACTION CONDITIONS ALBANY MOLECULAR RESEARCH, INC. 2001-03-13 US disclosed
EP-0877733-A4 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RES INC (US) 1999-03-31 EP disclosed
EP-0877733-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 1998-11-18 EP disclosed
WO-1997022344-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 1997-06-26 WO disclosed
EP-0402469-B1 CATECHOL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATION CONTAINING SAME TERUMO CORP (JP) 1994-06-01 EP disclosed
EP-0402469-A1 CATECHOL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATION CONTAINING SAME TERUMO KABUSHIKI KAISHA (JP) 1990-12-19 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 (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-20110295014-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES OR10J3, NR1H2, NR1H3 TBXAS1 1703/4885FFAR3 604/4885HDAC3 326/4885
US-20050272771-A1 Process for production of piperidine derivatives HRH4, CBR1, CBR3 TBXAS1 1833/4885FFAR3 999/4885HDAC3 389/4885
US-20030171590-A1 Process for production of piperidine derivatives NR4A1, NR4A2, NR5A2 TBXAS1 1168/4885FFAR3 1329/4885HDAC3 162/4885
US-20100010227-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES DDC, HPD, ALDH7A1 TBXAS1 2695/4885FFAR3 1698/4885HDAC3 457/4885

“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.