SCHEMBL22969064

SCHEMBL22969064

COc1ccc2c(C(=O)Oc3ccccc3)c3ccc(OC)cc3nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
NQO2 P16083 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 4/20 0.47
TACR3 P29371 3/20 0.47
THRB P10828 1/20 0.46
PLA2G2A P14555 2/20 0.46
PLA2G10 O15496 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7020881 0.97 MAPT (0.51) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL38661529 0.90 PLA2G2A (0.54) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL8142880 0.90 PLA2G2A (0.54) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL8741772 0.90 TP53 (0.47) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL8149705 0.87 MAPT (0.56) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL7536012 0.86 KMT2A (0.56) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL7787062 0.82 DYRK1A (0.51) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL8741771 0.82 DYRK3 (0.48) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL6584881 0.82 KDM4E (0.56) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL22969068 0.82 KDM4E (0.53) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040556-A1 ACRIDINIUM ESTER-CONTAINING COMPOUNDS AND METHODS OF USING THE SAME FOR CHEMILUMINESCENCE-BASED ONE-COLOR SEQUENCING MGI HOLDINGS CO., LIMITED (CN) 2021-02-11 US disclosed
WO-2021023252-A1 ACRIDINIUM ESTER-CONTAINING COMPOUNDS AND METHODS OF USING THE SAME FOR CHEMILUMINESCENCE-BASED ONE-COLOR SEQUENCING BGI SHENZHEN CO., LTD. (CN) 2021-02-11 WO 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-20210040556-A1 ACRIDINIUM ESTER-CONTAINING COMPOUNDS AND METHODS OF USING THE SAME FOR CHEMILUMINESCENCE-BASED ONE-COLOR SEQUENCING ACR, CES2, PDE6C MAPT 4464/4885NPC1 953/4885RAB9A 3569/4885

“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.