Protocatechualdehyde

Protocatechualdehyde

SCHEMBL9512877

O=Cc1ccc(O)c(O)c1.O=Cc1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
RAB9A P51151 2/20 1.00
PTGS2 P35354 1/20 1.00
LCK P06239 3/20 0.64
XDH P47989 1/20 0.61
ALDH1A1 P00352 5/20 0.57
ALDH5A1 P51649 3/20 0.57
ABAT P80404 3/20 0.57
HPGD P15428 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
EGFR P00533 2/20 0.57
AOX1 Q06278 1/20 0.57
TRIM24 O15164 1/20 0.57
TRIM33 Q9UPN9 1/20 0.57
POLB P06746 3/20 0.56
BLM P54132 2/20 0.56
GFER P55789 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALPL P05186 1/20 0.56
ALPI P09923 1/20 0.56

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
Protocatechualdehyde SCHEMBL29349539 1.00 KDM4E (1.00) KDM4ERAB9APTGS2LCKXDH
Protocatechualdehyde SCHEMBL36350 1.00 KDM4E (1.00) KDM4ERAB9APTGS2LCKXDH
Protocatechualdehyde SCHEMBL27748932 0.97 KDM4E (0.95) KDM4ERAB9APTGS2LCKXDH
Protocatechualdehyde SCHEMBL27876787 0.97 KDM4E (0.95) KDM4ERAB9APTGS2LCKXDH
Protocatechualdehyde SCHEMBL4072910 0.97 KDM4E (0.95) KDM4ERAB9APTGS2LCKXDH
Protocatechualdehyde SCHEMBL1668848 0.97 KDM4E (0.95) KDM4ERAB9APTGS2LCKXDH
Protocatechualdehyde SCHEMBL29196221 0.95 KDM4E (0.91) KDM4ERAB9APTGS2LCKXDH
Protocatechualdehyde SCHEMBL28808068 0.95 KDM4E (0.91) KDM4ERAB9APTGS2LCKXDH
Protocatechualdehyde SCHEMBL27781791 0.95 KDM4E (0.91) KDM4ERAB9APTGS2LCKXDH
Protocatechualdehyde SCHEMBL11526608 0.93 KDM4E (0.86) KDM4ERAB9APTGS2LCKXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108524939-B Application of mitochondria complex I reversible inhibitor and active oxygen scavenger in preparation of ischemia-reperfusion injury protection medicine 中国药科大学 2019-10-11 CN disclosed
CN-109331000-A Mitochondrial complex I reversible inhibitor combines the purposes for preparing ischemical reperfusion injury protection drug with active oxygen scavenger 中国药科大学 2019-02-15 CN disclosed
CN-108524939-A Application of mitochondria complex I reversible inhibitor and active oxygen scavenger in preparation of ischemia-reperfusion injury protection medicine 中国药科大学 2018-09-14 CN disclosed
CN-105250246-B Application of the protocatechualdehyde in treatment male sterility and extracorporeal treatment sperm 华北理工大学 2017-12-15 CN disclosed
EP-0357092-B1 Preparation of diacetoxybenzylidene diacetates KUREHA CHEMICAL IND CO LTD (JP) 1993-10-27 EP disclosed
EP-0357092-A1 Preparation of diacetoxybenzylidene diacetates KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-03-07 EP disclosed
US-4758591-A Dialkanoyloxybenzylidene dialkanoate KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-07-19 US disclosed
EP-0147174-A2 Dihydroxybenzaldehyde derivatives as anti-inflammatory agents KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-07-03 EP disclosed