SCHEMBL23718635

SCHEMBL23718635

COC(=O)c1ccc(OC/C(=C/F)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.49
MAOB P27338 1/20 0.49
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
AOC2 O75106 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL21780044 1.00 AOC3 (0.49) AOC3MAOBMAPTLMNAGAA
SCHEMBL21768135 1.00 AOC3 (0.49) AOC3MAOBMAPTLMNAGAA
SCHEMBL21780054 0.89 AOC3 (0.50) AOC3MAOBMAPTMAPK1CA12
SCHEMBL21768043 0.89 AOC3 (0.50) AOC3MAOBMAPTMAPK1CA12
SCHEMBL23718599 0.89 AOC3 (0.50) AOC3MAOBMAPTMAPK1CA12
SCHEMBL23329639 0.87 MAOB (0.46) AOC3MAOBMAPTLMNAGAA
SCHEMBL16767234 0.86 MAOB (0.47) AOC3MAOBSMN1; SMN2ALDH1A1AOC2
SCHEMBL16767233 0.86 MAOB (0.47) AOC3MAOBSMN1; SMN2ALDH1A1AOC2
SCHEMBL21889843 0.85 MAOB (0.45) AOC3MAOBRAB9ANPC1ALDH1A1
SCHEMBL21889186 0.84 AOC3 (0.44) AOC3MAOBMAPTLMNAGAA

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-20210238192-A1 VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. 2021-08-05 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-20210238192-A1 VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF VCAM1, VAPB, ICAM1 AOC3 796/4885MAOB 2301/4885MAPT 1019/4885

“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.