SCHEMBL23027283

SCHEMBL23027283

CN(C(=O)C(=O)OCc1ccccc1)C(=O)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 3/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 3/20 0.47
HCAR2 Q8TDS4 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.45
ALOX5 P09917 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 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
SCHEMBL24843177 0.90 ALDH1A1 (0.51) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL20052615 0.84 ALDH1A1 (0.53) ALDH1A1MAPTHPGDTDP1MAPK1
Trimethylammonium SCHEMBL7965217 0.83 ALDH1A1 (0.60) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL22566998 0.83 ALDH1A1 (0.51) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL27144 0.82 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7694380 0.81 ALDH1A1 (0.62) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL24228151 0.79 ALDH1A1 (0.50) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL27911519 0.79 ALDH1A1 (0.55) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL13234395 0.79 ALDH1A1 (0.70) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL9397986 0.79 ALDH1A1 (0.70) ALDH1A1MAPTHPGDTDP1MAPK1

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-20220177411-A1 PRODUCTION METHOD FOR NITROGEN-CONTAINING FLUORINE-CONTAINING COMPOUND AGC Inc. (JP) 2022-06-09 US disclosed
WO-2021033649-A1 PRODUCTION METHOD FOR NITROGEN-CONTAINING FLUORINE-CONTAINING COMPOUND AGC株式会社 2021-02-25 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-20220177411-A1 PRODUCTION METHOD FOR NITROGEN-CONTAINING FLUORINE-CONTAINING COMPOUND F3, RNF5, POF1B ALDH1A1 3920/4885MAPT 3220/4885HPGD 1743/4885

“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.