SCHEMBL10071710

SCHEMBL10071710

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SLC6A9 P48067 3/20 0.34
CYP2D6 P10635 2/20 0.34
HPGD P15428 1/20 0.34
FAAH O00519 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4670365 0.83 ALDH1A1 (0.37) ALDH1A1SLC6A4SLC6A2CYP2D6CYP2C9
SCHEMBL13616887 0.81 LMNA (0.42) ALDH1A1SLC6A4CYP2D6MAPT
SCHEMBL1827511 0.81 LMNA (0.42) ALDH1A1SLC6A4CYP2D6MAPT
SCHEMBL4708799 0.81 CES2 (0.36) IDO1ALDH1A1HPGDMAPT
SCHEMBL6233892 0.79 PTGS2 (0.41) ALDH1A1SLC6A9CYP2D6MAPTCYP2C9
SCHEMBL10071109 0.78 SCN9A (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL29076616 0.78 AOC3 (0.47) AOC3IDO1TDO2ALDH1A1SLC6A4
SCHEMBL21236575 0.77 SLC6A4 (0.36) SLC6A4
SCHEMBL17112356 0.76 AOC3 (0.59) AOC3IDO1TDO2SLC6A4SLC6A2
SCHEMBL10071708 0.75 AOC3 (0.34) AOC3ALDH1A1SLC6A4SLC6A2SLC6A9

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 1544/4885IDO1 845/4885TDO2 432/4885

“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.