SCHEMBL22128477

SCHEMBL22128477

Cc1cc(C[O])c(F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
KMT2A Q03164 1/20 0.30
RELA Q04206 1/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP7 P55210 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GPR27 Q9NS67 1/20 0.30

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
SCHEMBL12186137 0.85 TSHR (0.33) BCHECES1KDM1AKDM1BMEN1
SCHEMBL24357635 0.81 KDM1A (0.32) KDM1AKDM1BALDH1A1CYP1A2ALOX15
SCHEMBL17645789 0.79 ALDH1A1 (0.34) KDM1AKDM1BALDH1A1CYP1A2ALOX15
SCHEMBL29545648 0.79 SHBG (0.34) KDM1AKDM1BMEN1NPC1MAPT
SCHEMBL22128456 0.79 SHBG (0.34) KDM1AKDM1BMEN1NPC1MAPT
SCHEMBL30027997 0.77 AGBL2 (0.40) ALOX15GPR27
SCHEMBL31672222 0.77 PGK1 (0.32) GPR27
SCHEMBL17847021 0.77 AGBL2 (0.40) ALOX15GPR27
SCHEMBL15706607 0.77 TSHR (0.33) BCHECES1KDM1AKDM1BMEN1
SCHEMBL22830380 0.75 CSNK2A1 (0.38)

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-11407725-B2 Selective fluorescent probe for aldehyde dehydrogenase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-08-09 US disclosed
US-20200199092-A1 SELECTIVE FLUORESCENT PROBE FOR ALDEHYDE DEHYDROGENASE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-06-25 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 (2 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-11407725-B2 Selective fluorescent probe for aldehyde dehydrogenase ALDH1A1, ALDH3A1, ALDH16A1 BCHE 1888/4885CES1 114/4885KDM1A 399/4885
US-20200199092-A1 SELECTIVE FLUORESCENT PROBE FOR ALDEHYDE DEHYDROGENASE ALDH1A1, ALDH3A1, ALDH16A1 BCHE 1888/4885CES1 114/4885KDM1A 399/4885

“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.