SCHEMBL10071708

SCHEMBL10071708

C/C=C/CCC[C@@H](OC=O)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.34
TBXA2R P21731 2/20 0.33
CYP2D6 P10635 2/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A9 P48067 4/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
FOLH1 Q04609 1/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A2 P23975 1/20 0.30

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
SCHEMBL10071710 0.75 AOC3 (0.41) AOC3CYP2D6MMP1MMP9MMP12
SCHEMBL9572581 0.66 POLB (0.42) ALDH1A1
SCHEMBL3041214 0.65 CTSK (0.35)
SCHEMBL3030890 0.65 CTSK (0.35)
SCHEMBL5545230 0.65 IDO1 (0.52) SIGMAR1SLC6A4SLC6A2
SCHEMBL9572555 0.65 SLC7A5 (0.40) SIGMAR1ALDH1A1
SCHEMBL4672476 0.64 CA12 (0.36) ALDH1A1SLC6A4SLC6A2
SCHEMBL28780408 0.64 ALDH1A1 (0.40) ALDH1A1
SCHEMBL3035390 0.63 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL66024 0.63 SCN5A (0.44) TBXA2RCYP2D6

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-8119692-B2 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-02-21 US disclosed
US-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2010-11-11 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-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning ANTXR2, ABAT, BAX AOC3 1544/4885TBXA2R 1887/4885CYP2D6 475/4885

“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.