SCHEMBL3249491

SCHEMBL3249491

Cc1cccc(CCCCC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
MAPK1 P28482 1/20 0.56
ADRA1A P35348 1/20 0.56
HDAC4 P56524 1/20 0.56
SLC6A3 Q01959 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
FFAR4 Q5NUL3 1/20 0.55
NAAA Q02083 1/20 0.54
TBXAS1 P24557 7/20 0.53

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
SCHEMBL29057552 0.98 MAPT (0.66) MAPTRXFP1HDAC3HDAC1HDAC2
SCHEMBL9663089 0.98 MAPT (0.66) MAPTRXFP1HDAC3HDAC1HDAC2
SCHEMBL765851 0.98 MAPT (0.66) MAPTRXFP1HDAC3HDAC1HDAC2
SCHEMBL713464 0.98 MAPT (0.66) MAPTRXFP1HDAC3HDAC1HDAC2
SCHEMBL5101251 0.95 HDAC3 (0.63) MAPTRXFP1HDAC3HDAC1HDAC2
SCHEMBL456436 0.87 FFAR4 (0.67) FFAR4THRATHRBFFAR1
SCHEMBL10653664 0.87 MAPT (0.53) MAPTRXFP1HDAC3HDAC1HDAC2
SCHEMBL9665124 0.87 HDAC3 (0.54) MAPTRXFP1HDAC3HDAC1HDAC2
SCHEMBL1197247 0.85 MAPT (0.78) MAPTRXFP1HDAC3HDAC1HDAC2
Adipic Acid SCHEMBL15167368 0.85 TSHR (0.53) MAPTRXFP1HDAC3HDAC1HDAC2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3688124-B1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-10-25 EP disclosed
EP-3688124-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME ExxonMobil Chemical Patents Inc. (US) 2020-08-05 EP disclosed
US-10711216-B2 Ester compounds, lubricating oil compositions containing same and processes for making same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-07-14 US disclosed
CN-111386331-A Ester compound, lubricating oil composition containing same, and method for producing same 埃克森美孚化学专利公司 2020-07-07 CN disclosed
US-20190100710-A1 Ester Compounds, Lubricating Oil Compositions Containing Same and Processes for Making Same EXXONMOBIL CHEMICAL PATENTS INC. 2019-04-04 US disclosed
WO-2019067061-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-04-04 WO disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
WO-2005030735-A1 TRIAZINES DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 WO disclosed
EP-1042320-B1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS ASTRAZENECA UK LTD (GB) 2002-02-13 EP disclosed
US-6218376-B1 FOR TREATING INFLAMMATORY DISEASES ASTRAZENECA UK LIMITED (GB) 2001-04-17 US disclosed
EP-1042320-A1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS AstraZeneca UK Limited (GB) 2000-10-11 EP disclosed
WO-1999026944-A1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS ASTRAZENEKA UK LIMITED (GB) 1999-06-03 WO 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 (6 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-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885RXFP1 4463/4885HDAC3 1874/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885RXFP1 4463/4885HDAC3 1874/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885RXFP1 4463/4885HDAC3 1874/4885
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 MAPT 4450/4885RXFP1 171/4885HDAC3 3250/4885
US-10711216-B2 Ester compounds, lubricating oil compositions containing same and processes for making same ELOVL1, NOTUM, ELOVL5 MAPT 1710/4885RXFP1 4831/4885HDAC3 4338/4885
US-20190100710-A1 Ester Compounds, Lubricating Oil Compositions Containing Same and Processes for Making Same ELOVL1, NOTUM, ELOVL5 MAPT 1710/4885RXFP1 4831/4885HDAC3 4338/4885

“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.