SCHEMBL697922

SCHEMBL697922

COc1ccc(COC(=O)n2ccnc2[C@@H](C)c2cccc(C)c2C)c(OC)c1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CTSA P10619 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL698876 0.91 MAPT (0.44) ALDH1A1MAPTTDP1RXFP1MEN1
SCHEMBL697306 0.91 MAPT (0.41) ALDH1A1MAPTKDM4ETDP1CTSA
SCHEMBL697715 0.89 TDP1 (0.40) ALDH1A1MAPTKDM4ETDP1CTSA
SCHEMBL697345 0.88 NPC1 (0.38) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL697660 0.88 NPC1 (0.38) ALDH1A1MAPTCTSAMEN1KMT2A
SCHEMBL698816 0.87 SGMS2 (0.36) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL698049 0.86 ALDH1A1 (0.39) ALDH1A1MAPTCTSAKMT2ANPC1
SCHEMBL713263 0.86 KDM5A (0.36) ALDH1A1MAPTTDP1CTSAMEN1
SCHEMBL713262 0.86 KDM5A (0.36) ALDH1A1MAPTTDP1CTSAMEN1
SCHEMBL698176 0.85 GRIN2B (0.41) ALDH1A1MAPTKDM4ETDP1MEN1

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 316/4885KDM4E 574/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885MAPT 316/4885KDM4E 574/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885MAPT 316/4885KDM4E 574/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885MAPT 316/4885KDM4E 574/4885

“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.