SCHEMBL1337385

SCHEMBL1337385

O=C(O)CCc1cccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.47
FFAR1 O14842 5/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
KEAP1 Q14145 1/20 0.45
PARP1 P09874 1/20 0.45
CES2 O00748 1/20 0.44
BCHE P06276 1/20 0.44
CES1 P23141 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
RIPK1 Q13546 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41

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
SCHEMBL4639208 0.89 FFAR4 (0.50) FFAR4FFAR1MEN1ALDH1A1KMT2A
SCHEMBL29680321 0.89 FFAR4 (0.50) FFAR4FFAR1MEN1ALDH1A1KMT2A
SCHEMBL30428005 0.87 FFAR4 (0.49) FFAR4MEN1ALDH1A1KMT2A
SCHEMBL28159137 0.86 IAPP (0.46) FFAR4MEN1ALDH1A1KMT2ACES2
SCHEMBL6356007 0.86 MMP12 (0.46) FFAR4FFAR1MEN1ALDH1A1KMT2A
SCHEMBL29444401 0.84 MEN1 (0.59) FFAR4FFAR1MEN1ALDH1A1KMT2A
SCHEMBL246473 0.84 MEN1 (0.59) FFAR4FFAR1MEN1ALDH1A1KMT2A
SCHEMBL16070965 0.83 IAPP (0.56) FFAR4MEN1ALDH1A1KMT2ACES2
SCHEMBL4322411 0.83 CES2 (0.42) FFAR4MEN1ALDH1A1KMT2ACES2
SCHEMBL27996630 0.83 ALB (0.48) FFAR4FFAR1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116949600-A Method for directly spinning high-low viscosity PET (polyethylene terephthalate) bicomponent fiber melt 江苏轩达高分子材料有限公司 2023-10-27 CN disclosed
US-9884847-B2 Indazole retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2018-02-06 US disclosed
US-9884847-B2 Indazole retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2018-02-06 US disclosed
US-20170158669-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-06-08 US disclosed
US-20170158669-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-06-08 US disclosed
US-20160024057-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 US disclosed
US-20160024057-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 US disclosed
WO-2016014913-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO disclosed
US-8309739-B2 Chemical compounds SYNGENTA LIMITED (GB) 2012-11-13 US disclosed
US-8309739-B2 Chemical compounds SYNGENTA LIMITED (GB) 2012-11-13 US disclosed
WO-2004085403-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-10-07 WO disclosed
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-06-10 US disclosed
US-20040058941-A1 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 US disclosed
EP-1379523-A1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2004-01-14 EP disclosed
WO-2003099795-A1 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2003-12-04 WO disclosed
WO-2003086400-A1 N-SUBSTITUTED PYRIDINONE AND PYRIMIDINONE DERIVATIVES FOR USE AS LP-PLA2 INHIBITORS IN THE TREATMENT OF ARTHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2003-10-23 WO disclosed
WO-2003087088-A2 (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2003-10-23 WO disclosed
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
WO-2002076979-A1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-10-03 WO disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 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 (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-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists UTS2R, NTSR2, NTSR1 FFAR4 236/4885FFAR1 189/4885MEN1 946/4885
US-20040058941-A1 Pyrimidinone derivatives and their use in the treatment of atherosclerosis TYMP, LPL, PLAT FFAR4 814/4885FFAR1 469/4885MEN1 3236/4885
US-20170158669-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RXRA, RXRB, RARB FFAR4 128/4885FFAR1 63/4885MEN1 4673/4885
US-20160024057-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RXRA, RXRB, RARB FFAR4 128/4885FFAR1 63/4885MEN1 4673/4885

“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.