SCHEMBL698906

SCHEMBL698906

Cc1cccc([C@H](C)c2nccn2C(=O)OCCCCC(C)C)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.33
MAPK1 P28482 3/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPIA P62937 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 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
SCHEMBL697568 0.97 MEN1 (0.34) MAPK1ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL698041 0.93 CYP19A1 (0.36) MAPK1ALDH1A1LMNATSHRPOLB
SCHEMBL697183 0.91 ALOX5 (0.33) LMNAPOLB
SCHEMBL697182 0.91 ALOX5 (0.33) LMNAPOLB
SCHEMBL697181 0.91 ALOX5 (0.33) LMNAPOLB
SCHEMBL697545 0.91 ALDH1A1 (0.33) MAPK1ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL697335 0.91 MAPK1 (0.36) MAPK1ALDH1A1LMNATSHRKDM4E
SCHEMBL698638 0.89 BCHE (0.38) MAPK1ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL697702 0.87 MAPK1 (0.43) MAPK1ALDH1A1LMNATSHRPOLB
SCHEMBL699093 0.87 ALDH1A1 (0.40) MAPK1ALDH1A1LMNATSHRPOLB

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 RARB 3243/4885MAPK1 3695/4885ALDH1A1 617/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RARB 3243/4885MAPK1 3695/4885ALDH1A1 617/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RARB 3243/4885MAPK1 3695/4885ALDH1A1 617/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RARB 3243/4885MAPK1 3695/4885ALDH1A1 617/4885

“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.