SCHEMBL5458569

SCHEMBL5458569

CC(=O)Oc1c(Cl)cc(Cl)cc1C=CC(=O)Oc1c(Cl)cc(Cl)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ERN1 O75460 4/20 0.41
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MAOB P27338 1/20 0.37
ORAI1 Q96D31 1/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ABCB11 O95342 1/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL16005543 0.89 MEN1 (0.52) ALDH1A1KMT2ARAB9AMEN1TDP1
SCHEMBL2300015 0.76 ERN1 (0.46) ALDH1A1KMT2ARAB9AMEN1TDP1
Potassium Ion SCHEMBL8193405 0.75 ERN1 (0.49) ALDH1A1KMT2ARAB9AMEN1TDP1
SCHEMBL16005190 0.74 ERN1 (0.41) ALDH1A1KMT2ARAB9AMEN1TDP1
SCHEMBL4645395 0.74 ABCB11 (0.49) ALDH1A1KMT2ARAB9AMEN1TDP1
SCHEMBL27957060 0.72 KMT2A (0.44) ALDH1A1KMT2ARAB9AMEN1TDP1
SCHEMBL6413771 0.69 ERN1 (0.53) ALDH1A1KMT2AMEN1TDP1ERN1
SCHEMBL18871612 0.69 ABCB11 (0.45) ALDH1A1KMT2ARAB9AMEN1TDP1
SCHEMBL31551028 0.69 ERN1 (0.53) ALDH1A1KMT2AMEN1TDP1ERN1
SCHEMBL18313858 0.69 ALDH1A1 (0.49) ALDH1A1KMT2ARAB9AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 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 (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-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 ALDH1A1 627/4885KMT2A 4167/4885RAB9A 1141/4885

“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.