SCHEMBL24469031

SCHEMBL24469031

C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
KDM4E B2RXH2 4/20 0.68
HSD17B10 Q99714 2/20 0.68
TP53 P04637 2/20 0.68
HPGD P15428 2/20 0.68
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
MAPT P10636 5/20 0.61
LMNA P02545 3/20 0.61
GAA P10253 1/20 0.61
MAPK1 P28482 1/20 0.61
ADORA3 P0DMS8 2/20 0.60
CACNA1B Q00975 2/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CACNA1C Q13936 2/20 0.58
MLNR O43193 1/20 0.58
NR1I2 O75469 1/20 0.58
CACNA1H O95180 1/20 0.58
NR3C1 P04150 1/20 0.58

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
SCHEMBL10475395 0.93 ALDH1A1 (0.78) ALDH1A1KDM4EHSD17B10TP53HPGD
SCHEMBL9064752 0.90 ADORA3 (0.74) ALDH1A1KDM4EHSD17B10TP53HPGD
SCHEMBL10830852 0.90 ADORA3 (0.72) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL10475396 0.89 CACNA1B (0.74) ALDH1A1KDM4EHSD17B10TP53HPGD
SCHEMBL23686116 0.85 KMT2A (0.70) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL11862107 0.85 ADORA3 (0.66) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL9505249 0.85 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10TP53HPGD
SCHEMBL4935843 0.82 KDM4E (0.82) ALDH1A1KDM4EHSD17B10TP53HPGD
SCHEMBL4624081 0.81 TP53 (0.62) ALDH1A1KDM4EHSD17B10TP53HPGD
SCHEMBL22747107 0.80 CACNA1B (0.71) ALDH1A1MEN1KMT2AADORA3CACNA1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169613-A1 Drp1-FILAMIN COMPLEX FORMATION INHIBITORS Rdiscovery, LLC 2022-06-02 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-20220169613-A1 Drp1-FILAMIN COMPLEX FORMATION INHIBITORS FIS1, DNM1L, DNM1 ALDH1A1 4345/4885KDM4E 4592/4885HSD17B10 2713/4885

“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.