SCHEMBL99479

SCHEMBL99479

O=[N+]([O-])c1cc(OCCCCCCCCO)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PDK2 Q15119 3/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 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
SCHEMBL98583 0.88 TDP1 (0.45) TDP1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL27852973 0.88 TDP1 (0.45) TDP1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL97996 0.84 PTGES (0.47) TDP1ALDH1A1MAPTMEN1LMNA
SCHEMBL3378991 0.82 ALDH1A1 (0.44) TDP1ALDH1A1MAPTMEN1LMNA
SCHEMBL99653 0.81 ALDH1A1 (0.39) TDP1ALDH1A1MAPTMEN1LMNA
SCHEMBL15823738 0.81 ALDH1A1 (0.39) TDP1ALDH1A1MAPTMEN1LMNA
SCHEMBL18109929 0.80 MAPT (0.52) TDP1ALDH1A1MAPTMEN1LMNA
SCHEMBL7464754 0.78 ALDH1A1 (0.49) TDP1ALDH1A1MAPTMEN1LMNA
SCHEMBL7468121 0.78 ALDH1A1 (0.49) TDP1ALDH1A1MAPTMEN1LMNA
SCHEMBL11452569 0.78 ALDH1A1 (0.59) TDP1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 PNLIP 4583/4885TDP1 4429/4885ALDH1A1 1896/4885

“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.