Chlorogenic Acid

Chlorogenic Acid

SCHEMBL22111591

O=C(/C=C/c1ccc(O)c(O)c1)OC1C[C@@](O)(C(=O)O)C[C@H](O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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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 SCHEMBL1228850 1.00 AKR1B1 (1.00) AKR1B1PTPN1APPHSD17B10AKR1B10
Chlorogenic Acid SCHEMBL1230489 1.00 AKR1B1 (1.00) AKR1B1PTPN1APPHSD17B10AKR1B10
Chlorogenic Acid SCHEMBL15590670 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
Chlorogenic Acid SCHEMBL10182527 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 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 (1 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-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 AKR1B1 1341/4885PTPN1 2077/4885APP 3642/4885

“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.