SCHEMBL13034063

SCHEMBL13034063

CCCOCCCOCCCOC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
TSHR P16473 5/20 0.52
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CES2 O00748 1/20 0.42
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRNB2 P17787 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41

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
SCHEMBL2254001 1.00 ALDH1A1 (0.67) ALDH1A1TSHRLMNAHSD17B10CES2
SCHEMBL22984496 0.98 ALDH1A1 (0.64) ALDH1A1TSHRLMNAHSD17B10CES2
SCHEMBL144021 0.95 ALDH1A1 (0.67) ALDH1A1TSHRLMNAHSD17B10CES2
SCHEMBL9712898 0.93 ALDH1A1 (0.64) ALDH1A1TSHRLMNAHSD17B10CES2
SCHEMBL2722997 0.91 ALDH1A1 (0.82) ALDH1A1TSHRLMNAHSD17B10CES2
SCHEMBL13034068 0.91 ALDH1A1 (0.82) ALDH1A1TSHRLMNAHSD17B10CES2
SCHEMBL31243393 0.91 ALDH1A1 (0.64) ALDH1A1TSHRLMNAHSD17B10CES2
SCHEMBL30326816 0.91 ALDH1A1 (0.64) ALDH1A1TSHRLMNAHSD17B10CES2
SCHEMBL2844204 0.91 ALDH1A1 (0.64) ALDH1A1TSHRLMNAHSD17B10CES2
SCHEMBL30326809 0.91 ALDH1A1 (0.64) ALDH1A1TSHRLMNAHSD17B10CES2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 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 (3 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 617/4885TSHR 3443/4885LMNA 3030/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885TSHR 3443/4885LMNA 3030/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885TSHR 3443/4885LMNA 3030/4885

“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.