SCHEMBL697258

SCHEMBL697258

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
NLRP3 Q96P20 1/20 0.30
FPR2 P25090 1/20 0.30
OPRD1 P41143 1/20 0.30
ADRA2A P08913 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 0.30
ADRA1D P25100 2/20 0.30
ADRA1A P35348 2/20 0.30
ADRA1B P35368 2/20 0.30
KCNH2 Q12809 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
SCHEMBL714296 0.94 MAPK1 (0.36) MAPK1ALDH1A1MAPTLMNATP53
SCHEMBL697702 0.94 MAPK1 (0.43) MAPK1ALDH1A1MAPTLMNATP53
SCHEMBL698827 0.93 ALDH1A1 (0.35) MAPK1ALDH1A1MAPTLMNATP53
SCHEMBL698859 0.91 MEN1 (0.34) MAPK1ALDH1A1MAPTLMNATP53
SCHEMBL3528053 0.90 BCHE (0.35) MAPK1TP53KDM4EOPRD1CYP1A2
SCHEMBL698638 0.89 BCHE (0.38) MAPK1ALDH1A1MAPTTP53OPRD1
SCHEMBL699093 0.89 ALDH1A1 (0.40) MAPK1ALDH1A1MAPTLMNATP53
SCHEMBL697335 0.88 MAPK1 (0.36) MAPK1ALDH1A1LMNATP53KDM4E
SCHEMBL703068 0.88 ALDH1A1 (0.33) MAPK1ALDH1A1MAPTLMNATP53
SCHEMBL697153 0.87 LMNA (0.33) MAPK1ALDH1A1MAPTLMNATP53

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 3695/4885ALDH1A1 617/4885MAPT 316/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK1 3695/4885ALDH1A1 617/4885MAPT 316/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK1 3695/4885ALDH1A1 617/4885MAPT 316/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK1 3695/4885ALDH1A1 617/4885MAPT 316/4885

“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.