SCHEMBL841189

SCHEMBL841189

CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 2/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A4 P31645 2/20 0.36
PDK2 Q15119 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
FTO Q9C0B1 2/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMAD3 P84022 1/20 0.33
PRMT1 Q99873 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
SCHEMBL18240028 0.92 FTO (0.45) ALDH1A1HPGDTDP1CYP3A4HIF1A
SCHEMBL18240021 0.88 ALDH1A1 (0.30) ALDH1A1HPGDTDP1CYP3A4HIF1A
SCHEMBL8508597 0.82 FTO (0.34) ALDH1A1HPGDTDP1MEN1KMT2A
SCHEMBL30360806 0.80 PSMB5 (0.31)
SCHEMBL29558140 0.80 MAOA (0.43) SLC6A4LMNA
SCHEMBL11687105 0.79 LMNA (0.45) ALDH1A1HPGDTDP1SLC6A4PDK2
SCHEMBL3794922 0.79 FTO (0.54) ALDH1A1HPGDTDP1HSD17B10MEN1
SCHEMBL31376332 0.79 LMNA (0.45) ALDH1A1HPGDTDP1SLC6A4PDK2
SCHEMBL18240031 0.79 FTO (0.43) ALDH1A1HPGDTDP1CYP3A4HSD17B10
SCHEMBL16924017 0.79 CA12 (0.39) ALDH1A1HPGDTDP1CYP3A4SLC6A4

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-8143069-B2 useful for selective measurement of hypochlorite ion; does not react with hydrogen peroxide which is a weakly reactive oxygen species, and does not induce increase of fluorescence with hydroxyl radical or peroxynitrite which are reactive oxygen species having high activity THE UNIVERSITY OF TOKYO (JP) 2012-03-27 US disclosed
US-20090317914-A1 FLUORESCENT PROBE THE UNIVERSITY OF TOKYO (JP) 2009-12-24 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-20090317914-A1 FLUORESCENT PROBE H1-10, H1-0, NHERF1 ALDH1A1 1940/4885HPGD 3931/4885TDP1 3966/4885

“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.