SCHEMBL22844901

SCHEMBL22844901

C=CC(=C)N(C(=O)OCc1ccccc1)/C(C)=C/C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TGM2 P21980 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
F13A1 P00488 1/20 0.40
TGM1 P22735 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 3/20 0.38
CCR6 P51684 1/20 0.38
PAX8 Q06710 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL22844921 0.85 ALDH1A1 (0.43) ALDH1A1TGM2MAPK1SMN1; SMN2F13A1
SCHEMBL22844787 0.77 ALDH1A1 (0.49) ALDH1A1TGM2MAPK1SMN1; SMN2NPC1
SCHEMBL20243293 0.76 ALDH1A1 (0.63) ALDH1A1MAPK1NPC1RAB9AHCAR2
SCHEMBL30263351 0.76 ALDH1A1 (0.63) ALDH1A1MAPK1NPC1RAB9AHCAR2
SCHEMBL22618077 0.74 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL23651643 0.71 ALDH1A1 (0.56) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
E1501 SCHEMBL27774026 0.71 ALDH1A1 (0.79) ALDH1A1TGM2MAPK1NPC1RAB9A
Propene SCHEMBL28200015 0.71 HCAR2 (0.59) ALDH1A1TGM2MAPK1NPC1RAB9A
SCHEMBL12493072 0.71 ALDH1A1 (0.49) ALDH1A1TGM2MAPK1F13A1TGM1
SCHEMBL24677505 0.71 ALDH1A1 (0.49) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A

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-11479549-B2 Nitrogen-containing cyclic compound and color conversion film comprising same LG CHEM, LTD. (KR) 2022-10-25 US disclosed
US-20200407352-A1 NITROGEN-CONTAINING CYCLIC COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME LG CHEM, LTD. (KR) 2020-12-31 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-11479549-B2 Nitrogen-containing cyclic compound and color conversion film comprising same CRY1, NUDC, BLVRB ALDH1A1 2509/4885TGM2 2950/4885MAPK1 2269/4885
US-20200407352-A1 NITROGEN-CONTAINING CYCLIC COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME CRY1, NUDC, BLVRB ALDH1A1 2509/4885TGM2 2950/4885MAPK1 2269/4885

“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.