SCHEMBL698469

SCHEMBL698469

[CH2]OC(=O)OCCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
NAAA Q02083 4/20 0.36
ASAH1 Q13510 1/20 0.35
NFE2L2 Q16236 1/20 0.35
FKBP1A P62942 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 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
SCHEMBL696981 0.98 EPHX1 (0.40) EPHX1SMN1; SMN2HPGDLMNANAAA
SCHEMBL698516 0.94 EPHX1 (0.37) EPHX1SMN1; SMN2HPGDLMNANAAA
SCHEMBL697187 0.90 EPHX1 (0.32) EPHX1
SCHEMBL2906497 0.89 EPHX1 (0.51) EPHX1SMN1; SMN2NAAAASAH1FKBP1A
SCHEMBL695863 0.83 EPHX1 (0.41) EPHX1SMN1; SMN2HPGDLMNANAAA
SCHEMBL697686 0.81 EPHX1 (0.39) EPHX1SMN1; SMN2HPGDLMNANAAA
SCHEMBL698470 0.81 EPHX1 (0.46) EPHX1SMN1; SMN2HPGDNAAAFKBP1A
SCHEMBL8896242 0.80 EPHX1 (0.45) EPHX1SMN1; SMN2HPGDLMNANAAA
SCHEMBL698390 0.80 LMNA (0.52) EPHX1HPGDLMNANAAA
SCHEMBL4490761 0.79 ALDH1A1 (0.48) EPHX1SMN1; SMN2HPGDCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
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
WO-2010020896-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-25 WO disclosed
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-18 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US 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
EP-1981853-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES Pfizer Limited (GB) 2008-10-22 EP disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (6 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 EPHX1 1428/4885SMN1; SMN2 1394/4885HPGD 2124/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 EPHX1 1428/4885SMN1; SMN2 1394/4885HPGD 2124/4885
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 EPHX1 3143/4885SMN1; SMN2 385/4885HPGD 380/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 EPHX1 1428/4885SMN1; SMN2 1394/4885HPGD 2124/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 EPHX1 1428/4885SMN1; SMN2 1394/4885HPGD 2124/4885
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS ING2, IGFBP2, IGFBP1 EPHX1 4182/4885SMN1; SMN2 3738/4885HPGD 3398/4885

“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.