SCHEMBL22147339

SCHEMBL22147339

CC(C)(/C=C/C(C)(C)c1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
SRD5A2 P31213 1/20 0.40
KIF11 P52732 1/20 0.40
CYP1A2 P05177 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
ATM Q13315 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
GABRA1 P14867 1/20 0.39

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
SCHEMBL10441731 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1TRPV1SRD5A2KIF11
SCHEMBL1744766 0.78 ALDH1A1 (0.52) ALDH1A1MAPK1TRPV1CYP1A2NPC1
SCHEMBL8175237 0.77 ALDH1A1 (0.50) ALDH1A1MAPK1TRPV1SRD5A2KIF11
SCHEMBL1746013 0.77 CYP3A4 (0.46) ALDH1A1MAPK1TRPV1CYP1A2HSD17B10
SCHEMBL11028706 0.75 ALDH1A1 (0.49) ALDH1A1TRPV1CYP1A2NPC1RAB9A
SCHEMBL11890184 0.75 ALDH1A1 (0.49) ALDH1A1TRPV1CYP1A2NPC1RAB9A
SCHEMBL5794655 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1TRPV1SRD5A2KIF11
SCHEMBL11890181 0.73 NPSR1 (0.44) ALDH1A1MAPK1TRPV1NPC1RAB9A
SCHEMBL1744771 0.73 NPSR1 (0.44) ALDH1A1MAPK1TRPV1NPC1RAB9A
SCHEMBL11891605 0.73 NPSR1 (0.44) ALDH1A1MAPK1TRPV1NPC1RAB9A

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-20200305428-A1 COMPOUNDS FOR CONTROLLING PLANT PATHOGENS UNIVERSITEIT GENT (BE) 2020-10-01 US disclosed
WO-2020127216-A1 METHOD AND COMPOUNDS TO INDUCE PLANT TOLERANCE AGAINST ARTHROPOD PESTS UNIVERSITEIT GENT (BE) 2020-06-25 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-20200305428-A1 COMPOUNDS FOR CONTROLLING PLANT PATHOGENS HPD, HAAO, NCEH1 ALDH1A1 847/4885MAPK1 3611/4885TRPV1 3686/4885

“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.