SCHEMBL19878321

SCHEMBL19878321

COc1ccc(C=O)cc1N(CC(=O)O)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
TSHR P16473 1/20 0.53
AOX1 Q06278 1/20 0.53
FDPS P14324 1/20 0.50
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TRIM24 O15164 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TTR P02766 1/20 0.47
CYP2C9 P11712 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.42

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
SCHEMBL19878371 0.87 ALDH1A1 (0.51) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL2119806 0.83 ALDH1A1 (0.49) ALDH1A1TSHRHPGDTDP1SMN1; SMN2
SCHEMBL19878420 0.83 ALDH1A1 (0.44) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL12722194 0.80 ALDH1A1 (0.48) ALDH1A1TSHRTDP1SMN1; SMN2POLB
SCHEMBL12722192 0.80 HTT (0.52) ALDH1A1TSHRTDP1NPSR1POLB
SCHEMBL10064630 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTDP1SMN1; SMN2NPSR1
SCHEMBL3205979 0.77 APP (0.65) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL14023114 0.77 TRPA1 (0.50) ALDH1A1TSHRHPGDTDP1SMN1; SMN2
SCHEMBL12722185 0.77 HCRTR2 (0.44) ALDH1A1TDP1MAPT
SCHEMBL19878350 0.77 ALDH1A1 (0.50) ALDH1A1TSHRAOX1FDPSHPGD

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
EP-3500860-A1 COMPOSITION AND METHODS FOR MEASURING ION CHANNEL ACTIVITY IN A CELL Life Technologies Corporation (US) 2019-06-26 EP disclosed
US-20190187155-A1 COMPOSITION AND METHODS FOR MEASURING ION CHANNEL ACTIVITY IN A CELL Life Technologies Corporation 2019-06-20 US disclosed
WO-2018035230-A1 COMPOSITION AND METHODS FOR MEASURING ION CHANNEL ACTIVITY IN A CELL Life Technologies Corporation (US) 2018-02-22 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-20190187155-A1 COMPOSITION AND METHODS FOR MEASURING ION CHANNEL ACTIVITY IN A CELL TMCO1, TRPM5, CLIC1 ALDH1A1 4189/4885TSHR 1734/4885AOX1 2384/4885

“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.