SCHEMBL698827

SCHEMBL698827

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
NLRP3 Q96P20 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
FPR2 P25090 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LPO P22079 2/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL699055 0.94 ALDH1A1 (0.34) ALDH1A1MAPTNPC1MAPK1POLB
SCHEMBL697258 0.93 MAPK1 (0.38) ALDH1A1MAPTNPC1MAPK1POLB
SCHEMBL699093 0.92 ALDH1A1 (0.40) ALDH1A1MAPTNPC1MAPK1POLB
SCHEMBL698859 0.92 MEN1 (0.34) ALDH1A1MAPTMAPK1POLBTP53
SCHEMBL697702 0.90 MAPK1 (0.43) ALDH1A1MAPTNPC1MAPK1POLB
SCHEMBL703068 0.89 ALDH1A1 (0.33) ALDH1A1MAPTMAPK1POLBTP53
SCHEMBL697153 0.88 LMNA (0.33) ALDH1A1MAPTMAPK1POLBTP53
SCHEMBL698638 0.88 BCHE (0.38) ALDH1A1MAPTMAPK1TP53
SCHEMBL697335 0.87 MAPK1 (0.36) ALDH1A1MAPK1TP53LMNAKDM4E
SCHEMBL698041 0.87 CYP19A1 (0.36) ALDH1A1MAPTMAPK1POLBTP53

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 ALDH1A1 617/4885MAPT 316/4885NPC1 745/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885MAPT 316/4885NPC1 745/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885MAPT 316/4885NPC1 745/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885MAPT 316/4885NPC1 745/4885

“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.