SCHEMBL2900924

SCHEMBL2900924

O=C(O[CH]c1ccccc1)OC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
MMP9 P14780 2/20 0.40
MMP12 P39900 2/20 0.40
MMP1 P03956 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
BCHE P06276 1/20 0.39
MMP2 P08253 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL1397133 0.84 FABP7 (0.43) FAAHMGLLFABP7FABP5MMP9
SCHEMBL2905964 0.77 POLB (0.49) FABP7FABP5TDP1SMN1; SMN2HPGD
SCHEMBL13299640 0.75 MEN1 (0.47) FAAHMGLLFABP7FABP5MMP9
SCHEMBL1353554 0.75 ALDH1A1 (0.54) FAAHMGLLFABP7FABP5MMP9
SCHEMBL2518038 0.74 TRPM8 (0.51) MGLLFABP7FABP5TDP1SMN1; SMN2
SCHEMBL3255142 0.74 TRPM8 (0.51) MGLLFABP7FABP5TDP1SMN1; SMN2
SCHEMBL1006660 0.73 IDO1 (0.43) FABP7FABP5SMN1; SMN2HPGDMAPT
SCHEMBL3850429 0.73 RAB9A (0.60) FAAHSMN1; SMN2THRBRAB9A
Styrene SCHEMBL27879698 0.73 FABP7 (0.44) FAAHMGLLFABP7FABP5MMP9
SCHEMBL1996947 0.73 AKR1C3 (0.51) FAAHMGLLFABP7FABP5MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217564-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2010-08-18 EP disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
WO-2009033054-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 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-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 FAAH 412/4885MGLL 1716/4885FABP7 929/4885

“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.