SCHEMBL10331123

SCHEMBL10331123

C/C=C(\C)NC(=O)c1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
NPC1 O15118 5/20 0.61
MAPT P10636 2/20 0.61
HPGD P15428 2/20 0.61
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 3/20 0.51
PKM P14618 1/20 0.51
AGTR1 P30556 1/20 0.51
ALOX12 P18054 1/20 0.49
LMNA P02545 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
PPIA P62937 1/20 0.48

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
SCHEMBL21313818 0.77 ALDH1A1 (0.69) ALDH1A1NPC1MAPTHPGDGAA
SCHEMBL9782243 0.76 ALDH1A1 (0.67) ALDH1A1NPC1MAPTHPGDGAA
SCHEMBL7202697 0.76 NPC1 (0.67) ALDH1A1NPC1MAPTHPGDGAA
SCHEMBL13626304 0.75 ALDH1A1 (0.51) ALDH1A1NPC1MAPTHPGDGAA
SCHEMBL255025 0.75 GAA (1.00) ALDH1A1NPC1MAPTHPGDGAA
SCHEMBL6127963 0.75 ALDH1A1 (0.49) ALDH1A1NPC1MAPTHPGDGAA
SCHEMBL6450415 0.74 ALDH1A1 (0.70) ALDH1A1NPC1MAPTHPGDGAA
Hydrochloric Acid SCHEMBL28557631 0.73 GAA (0.96) ALDH1A1NPC1MAPTHPGDGAA
SCHEMBL28820697 0.73 ALDH1A1 (0.53) ALDH1A1NPC1MAPTHPGDGAA
Water SCHEMBL27791568 0.73 GAA (0.96) ALDH1A1NPC1MAPTHPGDGAA

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-20120184438-A1 FORMULATIONS SYNGENTA CROP PROTECTION, LLC (US) 2012-07-19 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-20120184438-A1 FORMULATIONS CBR3, H1-5, H1-0 ALDH1A1 935/4885NPC1 1193/4885MAPT 3332/4885

“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.