SCHEMBL714296

SCHEMBL714296

CCCOCCCOCCCOC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
PTGES O14684 4/20 0.32
ALOX5 P09917 4/20 0.32
PPARG P37231 4/20 0.32
PPARA Q07869 4/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
BCHE P06276 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 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
SCHEMBL3528053 0.96 BCHE (0.35) MAPK1PTGESALOX5PPARGPPARA
SCHEMBL697258 0.94 MAPK1 (0.38) MAPK1KDM4ELMNAALDH1A1MAPT
SCHEMBL699055 0.93 ALDH1A1 (0.34) MAPK1KDM4ELMNAALDH1A1MAPT
SCHEMBL697687 0.92 CYP3A4 (0.32) MAPK1LMNAALDH1A1MAPTPOLB
SCHEMBL698638 0.92 BCHE (0.38) MAPK1PTGESALOX5PPARGPPARA
SCHEMBL697702 0.92 MAPK1 (0.43) MAPK1LMNAALDH1A1MAPTTP53
SCHEMBL697335 0.91 MAPK1 (0.36) MAPK1KDM4ELMNAALDH1A1BCHE
SCHEMBL699093 0.87 ALDH1A1 (0.40) MAPK1KDM4ELMNAALDH1A1MAPT
SCHEMBL697568 0.87 MEN1 (0.34) MAPK1KDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL697545 0.87 ALDH1A1 (0.33) MAPK1KDM4ESMN1; SMN2LMNAALDH1A1

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 9 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
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 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-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
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 (4 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 MAPK1 3695/4885PTGES 1665/4885ALOX5 4159/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK1 3695/4885PTGES 1665/4885ALOX5 4159/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK1 3695/4885PTGES 1665/4885ALOX5 4159/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK1 3695/4885PTGES 1665/4885ALOX5 4159/4885

“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.