SCHEMBL22686702

SCHEMBL22686702

O=C(O)c1c(-c2ccccc2)cc(O)c(O)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.56
KDM4A O75164 1/20 0.49
KDM4B O94953 1/20 0.49
KDM4D Q6B0I6 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
PTPN1 P18031 4/20 0.49
HNF4A P41235 3/20 0.47
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 2/20 0.46
AKR1C3 P42330 1/20 0.46
PTPN6 P29350 2/20 0.45
PTPN2 P17706 1/20 0.45
ALOX5 P09917 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL28256322 0.89 BACE1 (0.56) BACE1KDM4AKDM4BKDM4DKDM4C
SCHEMBL28649452 0.85 BACE1 (0.56) BACE1KDM4AKDM4BKDM4DKDM4C
SCHEMBL11317724 0.85 BACE1 (0.56) BACE1KDM4AKDM4BKDM4DKDM4C
SCHEMBL5590480 0.78 HNF4A (0.48) BACE1PTPN1HNF4AAKR1C2AKR1C1
SCHEMBL22068538 0.77 ALOX5 (0.53) BACE1PTPN1HNF4AALOX5CA12
SCHEMBL23521242 0.77 FOLH1 (0.53) BACE1PTPN1HNF4AAKR1C2AKR1C1
SCHEMBL28429428 0.76 CA12 (0.52) BACE1PTPN1HNF4AAKR1C2AKR1C1
SCHEMBL31457344 0.75 PTPN1 (0.60) BACE1PTPN1HNF4AAKR1C2AKR1C1
Biphenyl SCHEMBL5613213 0.75 PTPN1 (0.55) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
SCHEMBL49835 0.74 PTPN1 (0.50) BACE1PTPN1HNF4AAKR1C2AKR1C1

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
US-12319594-B2 Composition and method for capture and degradation of PFAS BATTELLE MEMORIAL INSTITUTE (US) 2025-06-03 US disclosed
US-11891313-B2 Fluidic impedance platform for in-situ detection and quantification of PFAS in groundwater BATTELLE MEMORIAL INSTITUTE (US) 2024-02-06 US disclosed
US-20230089418-A1 COMPOSITION AND METHOD FOR CAPTURE AND DEGRADATION OF PFAS BATTELLE MEMORIAL INSTITUTE (US) 2023-03-23 US disclosed
US-11518689-B2 Composition and method for capture and degradation of PFAS BATTELLE MEMORIAL INSTITUTE (US) 2022-12-06 US disclosed
US-20220252536-A1 FLUIDIC IMPEDANCE PLATFORM FOR IN-SITU DETECTION AND QUANTIFICATION OF PFAS IN GROUNDWATER BATTELLE MEMORIAL INSTITUTE (US) 2022-08-11 US disclosed
EP-3973285-A1 FLUIDIC IMPEDANCE PLATFORM FOR IN-SITU DETECTION AND QUANTIFICATION OF PFAS IN GROUNDWATER Battelle Memorial Institute (US) 2022-03-30 EP disclosed
US-20200369536-A1 COMPOSITION AND METHOD FOR CAPTURE AND DEGRADATION OF PFAS BATTELLE MEMORIAL INSTITUTE (US) 2020-11-26 US disclosed
WO-2020236435-A1 FLUIDIC IMPEDANCE PLATFORM FOR IN-SITU DETECTION AND QUANTIFICATION OF PFAS IN GROUNDWATER BATTELLE MEMORIAL INSTITUTE (US) 2020-11-26 WO disclosed