SCHEMBL698950

SCHEMBL698950

CCC(CC)OC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 2/20 0.32
TSHR P16473 2/20 0.32
PKM P14618 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRA2A P08913 4/20 0.32
ADRA2B P18089 4/20 0.32
ADRA2C P18825 4/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32
ADRA1D P25100 2/20 0.32

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
SCHEMBL698841 0.89 TP53 (0.35) POLBTP53MAPTALDH1A1LMNA
SCHEMBL697479 0.89 KMT2A (0.34) POLBTP53MAPTALDH1A1LMNA
SCHEMBL696280 0.88 ADRA2A (0.35) POLBTP53MAPTALDH1A1LMNA
SCHEMBL699093 0.88 ALDH1A1 (0.40) POLBTP53MAPTALDH1A1LMNA
SCHEMBL697795 0.87 TP53 (0.34) POLBTP53MAPTALDH1A1LMNA
SCHEMBL697796 0.87 TP53 (0.34) POLBTP53MAPTALDH1A1LMNA
SCHEMBL697702 0.86 MAPK1 (0.43) POLBTP53MAPTALDH1A1LMNA
SCHEMBL698820 0.86 MAPK14 (0.35) TP53ALDH1A1LMNAKMT2AMEN1
SCHEMBL698609 0.84 KMT2A (0.34) POLBTP53MAPTALDH1A1LMNA
SCHEMBL698613 0.84 KMT2A (0.34) POLBTP53MAPTALDH1A1LMNA

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 10 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-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
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 POLB 3099/4885TP53 2394/4885MAPT 316/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 POLB 3099/4885TP53 2394/4885MAPT 316/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 POLB 3099/4885TP53 2394/4885MAPT 316/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 POLB 3099/4885TP53 2394/4885MAPT 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.