SCHEMBL1613850

SCHEMBL1613850

CC(CC(=O)O)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
FFAR1 O14842 1/20 0.47
CYP26A1 O43174 3/20 0.46
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CPA1 P15085 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
CPB1 P15086 1/20 0.38
CPA3 P15088 1/20 0.38
CPB2 Q96IY4 1/20 0.38
ADAMTS4 O75173 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
SCHEMBL31296529 1.00 HTT (0.49) HTTFFAR1CYP26A1CYP2C19CYP2C9
SCHEMBL11784289 0.86 FFAR1 (0.41) HTTFFAR1CYP26A1CYP2C19CYP2C9
SCHEMBL28986878 0.84 L3MBTL1 (0.50) HTTCYP2C19CYP2C9KDM4ETSHR
SCHEMBL1612244 0.84 HTT (0.47) HTTCYP26A1CYP2C19CYP2C9TSHR
SCHEMBL658742 0.81 GABBR2 (0.48) HTTCYP26A1CYP2C19CYP2C9TSHR
SCHEMBL30437060 0.81 GABBR2 (0.48) HTTCYP26A1CYP2C19CYP2C9TSHR
SCHEMBL7112192 0.81 CYP2C19 (0.56) HTTCYP26A1CYP2C19CYP2C9KDM4E
SCHEMBL8771210 0.79 SLC18A3 (0.46) HTTCYP26A1CYP2C19CYP2C9TSHR
SCHEMBL27809268 0.79 CYP26A1 (0.44) HTTCYP26A1CYP2C19CYP2C9TSHR
SCHEMBL6841260 0.79 FFAR1 (0.49) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289793-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. 2025-09-18 US disclosed
EP-4519251-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE Esperion Therapeutics, Inc. (US) 2025-03-12 EP disclosed
WO-2023215220-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. (US) 2023-11-09 WO disclosed
US-20180170884-A1 ANTI-HCMV COMPOSITIONS AND METHODS FORGE LIFE SCIENCE, LLC 2018-06-21 US disclosed
WO-2016077240-A2 ANTI-HCMV COMPOSITIONS AND METHODS FORGE LIFE SCIENCE, LLC (US) 2016-05-19 WO disclosed
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2011-04-14 US disclosed
EP-2004604-B1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2010-12-01 EP disclosed
WO-2009015867-A1 SUBSTITUTED ARYL OR HETEROARYLPIPERDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-02-05 WO disclosed
EP-2020405-A1 Substituted aryl or heteroarylpiperidine derivatives as melanocortin-4 receptor modulators Santhera Pharmaceuticals (Schweiz) AG (CH) 2009-02-04 EP disclosed
EP-2004604-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2008-12-24 EP disclosed
WO-2007115798-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-10-18 WO disclosed
WO-2007096186-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-08-30 WO disclosed
US-5942459-A ALUMOXANE-FREE MIXTURE OF TRANSITION METAL METALLOCENE, ORGANOALUMINUM COMPOUND, BORIC ACID-CONTAINING POWDER MITSUBISHI CHEMICAL CORPORATION (JP) 1999-08-24 US disclosed
EP-0728773-B1 Catalysts for olefin polymerization and a process for preparing olefin polymers therewith MITSUBISHI CHEM CORP (JP) 1998-11-04 EP disclosed
EP-0693502-B1 Catalyst component for the polymerization of alpha-olefins and a process for preparing alpha-olefin polymers with use of same MITSUBISHI CHEM CORP (JP) 1997-11-05 EP disclosed
US-5594081-A METALLOCENES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-01-14 US disclosed
EP-0728773-A1 Catalysts for olefin polymerization and a process for preparing olefin polymers therewith MITSUBISHI CHEMICAL CORPORATION (JP) 1996-08-28 EP disclosed
EP-0693502-A1 Catalyst component for the polymerization of alpha-olefins and a process for preparing alpha-olefin polymers with use of same MITSUBISHI CHEMICAL CORPORATION (JP) 1996-01-24 EP disclosed
EP-0109225-B1 ARACHIDONIC ACID ANALOGUES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN MEDICINE BEECHAM GROUP PLC (GB) 1985-08-28 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 (3 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-20180170884-A1 ANTI-HCMV COMPOSITIONS AND METHODS RPL35, RPL7, RPL5 HTT 3200/4885FFAR1 4742/4885CYP26A1 4500/4885
US-20250289793-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ACLY, CS, ATP5ME HTT 2063/4885FFAR1 1605/4885CYP26A1 1389/4885
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R HTT 1144/4885FFAR1 333/4885CYP26A1 2249/4885

“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.