SCHEMBL697687

SCHEMBL697687

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR4 Q13639 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL697545 0.95 ALDH1A1 (0.33) CYP3A4CYP2D6HTR4LMNAALDH1A1
SCHEMBL3528053 0.92 BCHE (0.35) CYP3A4CYP2D6MAPK1
SCHEMBL714296 0.92 MAPK1 (0.36) LMNAALDH1A1MAPTPOLBMAPK1
SCHEMBL699055 0.91 ALDH1A1 (0.34) LMNAALDH1A1MAPTPOLBMAPK1
SCHEMBL703068 0.91 ALDH1A1 (0.33) CYP3A4CYP2D6LMNAALDH1A1MAPT
SCHEMBL698638 0.88 BCHE (0.38) CYP3A4CYP2D6ALDH1A1MAPTMAPK1
SCHEMBL697335 0.87 MAPK1 (0.36) CYP3A4LMNAALDH1A1MAPK1
SCHEMBL697568 0.87 MEN1 (0.34) CYP3A4CYP2D6LMNAALDH1A1MAPT
SCHEMBL698906 0.86 RARB (0.33) CYP3A4CYP2D6LMNAALDH1A1MAPT
SCHEMBL697258 0.86 MAPK1 (0.38) CYP3A4CYP2D6LMNAALDH1A1MAPT

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 CYP3A4 3/4885CYP2D6 15/4885HTR4 768/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP3A4 3/4885CYP2D6 15/4885HTR4 768/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP3A4 3/4885CYP2D6 15/4885HTR4 768/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP3A4 3/4885CYP2D6 15/4885HTR4 768/4885

“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.