SCHEMBL20201216

SCHEMBL20201216

Cc1nnccc1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TDP1 Q9NUW8 4/20 0.53
POLB P06746 2/20 0.52
TSHR P16473 4/20 0.52
RAB9A P51151 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL20201207 0.81 ALDH1A1 (0.53) ALDH1A1TDP1POLBTSHRRAB9A
SCHEMBL6266108 0.81 POLB (0.69) ALDH1A1TDP1POLBTSHRRAB9A
SCHEMBL20305862 0.79 TDP1 (0.50) ALDH1A1TDP1POLBTSHRRAB9A
SCHEMBL20201203 0.78 ALDH1A1 (0.55) ALDH1A1TDP1POLBTSHRRAB9A
SCHEMBL6035558 0.77 POLB (0.53) ALDH1A1TDP1POLBTSHRRAB9A
SCHEMBL20267313 0.77 ALDH1A1 (0.54) ALDH1A1TDP1TSHRL3MBTL1MAPK1
SCHEMBL20201219 0.77 TDP1 (0.58) ALDH1A1TDP1POLBTSHRRAB9A
SCHEMBL20201217 0.76 ALDH1A1 (0.57) ALDH1A1TDP1POLBTSHRRAB9A
SCHEMBL25541328 0.75 TDP1 (0.49) ALDH1A1TDP1POLBTSHRRAB9A
SCHEMBL20201206 0.75 TDP1 (0.49) ALDH1A1TDP1POLBTSHRRAB9A

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-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 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-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 ALDH1A1 495/4885TDP1 2574/4885POLB 2825/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 ALDH1A1 495/4885TDP1 2574/4885POLB 2825/4885

“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.