Catechol

Catechol

SCHEMBL9101540

O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1.Oc1ccccc1O

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
HSD17B10 Q99714 2/20 0.63
CDC25A P30304 1/20 0.63
CDC25B P30305 1/20 0.63
CA12 O43570 4/20 0.57
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA9 Q16790 4/20 0.57
POLB P06746 3/20 0.57
CA6 P23280 3/20 0.57
CA7 P43166 3/20 0.57
CA14 Q9ULX7 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CA4 P22748 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
PTGS2 P35354 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 3/20 0.54
NAPRT Q6XQN6 2/20 0.54

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
Salicylic Acid SCHEMBL9658512 0.92 KDM4E (0.67) KDM4EHSD17B10CDC25ACDC25BCA12
SCHEMBL31517235 0.91 KDM4E (0.61) KDM4EHSD17B10CDC25ACDC25BCA12
Phthalic Acid SCHEMBL20678581 0.90 CDC25B (0.77) KDM4EHSD17B10CDC25ACDC25BPOLB
Benzene SCHEMBL9407020 0.89 KDM4E (0.73) KDM4EHSD17B10CDC25ACDC25BCA12
Pyrogallol SCHEMBL18591416 0.89 KDM4E (0.58) KDM4EHSD17B10CDC25ACDC25BCA12
Phenol SCHEMBL30677823 0.88 POLB (0.67) KDM4EHSD17B10CDC25ACDC25BCA12
SCHEMBL23279 0.87 KDM4E (0.69) KDM4EHSD17B10CDC25ACDC25BCA12
SCHEMBL23861 0.87 KDM4E (0.69) KDM4EHSD17B10CDC25ACDC25BCA12
SCHEMBL29899307 0.87 KDM4E (0.69) KDM4EHSD17B10CDC25ACDC25BCA12
SCHEMBL29350135 0.87 KDM4E (0.69) KDM4EHSD17B10CDC25ACDC25BCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553612-B1 Polyimides, thermosetting resin compositions containing the polyimides, formed articles of the resin compositions, and production process of the polyimides HITACHI CHEMICAL CO LTD (JP) 1996-08-21 EP disclosed
US-5510425-A AROMATIC POLYIMIDE-EPOXY COPOLYMER MODIFIED BY BISMALEIMIDE COMPOUND; FLEXIBILITY, PEELING STRENGTH; COLDSETTING RESINS, ADHESIVES HITACHI CHEMICAL COMPANY, LTD. (JP) 1996-04-23 US disclosed
US-5508357-A SOLUBILITY IN SOLVENT, LOW MELTING POINT HITACHI CHEMICAL COMPANY, LTD. (JP) 1996-04-16 US disclosed
EP-0553612-A2 Polyimides, thermosetting resin compositions containing the polyimides, formed articles of the resin compositions, and production process of the polyimides HITACHI CHEMICAL CO., LTD. (JP) 1993-08-04 EP disclosed