Chlorogenic Acid

Chlorogenic Acid

SCHEMBL14534395

O=C(/C=C/c1ccc(O)c(O)c1)OC1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 6/20 1.00
▸ PTPN1 P18031 6/20 1.00
▸ APP P05067 5/20 1.00
▸ HSD17B10 Q99714 4/20 1.00
▸ AKR1B10 O60218 4/20 1.00
▸ KDM4E B2RXH2 3/20 1.00
▸ ALDH1A1 P00352 2/20 1.00
▸ TSHR P16473 1/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ HDAC3 O15379 1/20 1.00
▸ PTPN2 P17706 1/20 1.00
▸ HDAC4 P56524 1/20 1.00
▸ HDAC1 Q13547 1/20 1.00
▸ HDAC7 Q8WUI4 1/20 1.00
▸ HDAC2 Q92769 1/20 1.00
▸ HDAC10 Q969S8 1/20 1.00
▸ HDAC11 Q96DB2 1/20 1.00
▸ HDAC8 Q9BY41 1/20 1.00
▸ HDAC6 Q9UBN7 1/20 1.00
▸ HDAC9 Q9UKV0 1/20 1.00

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
Chlorogenic Acid SCHEMBL19466 1.00 AKR1B1 (1.00) AKR1B1PTPN1APPHSD17B10AKR1B10
Chlorogenic Acid SCHEMBL13015035 1.00 AKR1B1 (1.00) AKR1B1PTPN1APPHSD17B10AKR1B10
Chlorogenic Acid SCHEMBL22111591 1.00 AKR1B1 (1.00) AKR1B1PTPN1APPHSD17B10AKR1B10
Chlorogenic Acid SCHEMBL13250699 1.00 AKR1B1 (1.00) AKR1B1PTPN1APPHSD17B10AKR1B10
Chlorogenic Acid SCHEMBL24239743 1.00 AKR1B1 (1.00) AKR1B1PTPN1APPHSD17B10AKR1B10
Chlorogenic Acid SCHEMBL21191546 1.00 AKR1B1 (1.00) AKR1B1PTPN1APPHSD17B10AKR1B10
Chlorogenic Acid SCHEMBL24879283 1.00 AKR1B1 (1.00) AKR1B1PTPN1APPHSD17B10AKR1B10
Chlorogenic Acid SCHEMBL21433650 1.00 AKR1B1 (1.00) AKR1B1PTPN1APPHSD17B10AKR1B10
Chlorogenic Acid SCHEMBL22422499 1.00 AKR1B1 (1.00) AKR1B1PTPN1APPHSD17B10AKR1B10
Chlorogenic Acid SCHEMBL21142437 1.00 AKR1B1 (1.00) AKR1B1PTPN1APPHSD17B10AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303059-B2 Chemoselective enrichment for compound isolation INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-04-05 — — US disclosed
US-20160082025-A1 USING DNA METHYLTRANSFERASE INHIBITORS TO TREAT CALCIFIC AORTA VALVE DISEASE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2016-03-24 — — US disclosed
US-20140155480-A1 Scyllo-Inositol Derivatives and Their Use in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation of Amyloid Formation, Deposition, Accumulation for Persistence WARATAH PHARMACEUTICALS INC. (CA) 2014-06-05 — — US disclosed
US-20140107328-A1 CHEMOSELECTIVE ENRICHMENT FOR COMPOUND ISOLATION INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2014-04-17 — — US disclosed
US-20070111970-A1 Inositol compounds and uses of same in the treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence WARATAH PHARMACEUTICALS INC. (CA) 2007-05-17 — — 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 (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-20070111970-A1 Inositol compounds and uses of same in the treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence SCLY, SMOX, SMS AKR1B1 1357/4885PTPN1 4039/4885APP 145/4885
US-20160082025-A1 USING DNA METHYLTRANSFERASE INHIBITORS TO TREAT CALCIFIC AORTA VALVE DISEASE DNMT1, DNMT3A, DNMT3B AKR1B1 2459/4885PTPN1 4527/4885APP 3342/4885
US-20140155480-A1 Scyllo-Inositol Derivatives and Their Use in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation of Amyloid Formation, Deposition, Accumulation for Persistence SCLY, SCO2, SGMS2 AKR1B1 1787/4885PTPN1 4641/4885APP 124/4885
US-20140107328-A1 CHEMOSELECTIVE ENRICHMENT FOR COMPOUND ISOLATION PAH, HAAO, APEH AKR1B1 609/4885PTPN1 4087/4885APP 4298/4885

“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.

Send feedback