SCHEMBL13817606

SCHEMBL13817606

CCCOCCCCOCCOC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
ALDH1A1 P00352 3/20 0.61
CES2 O00748 2/20 0.45
THRB P10828 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40

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
SCHEMBL11119457 0.94 ALDH1A1 (0.68) TSHRALDH1A1CES2THRBMEN1
SCHEMBL144021 0.93 ALDH1A1 (0.67) TSHRALDH1A1CES2THRBMEN1
SCHEMBL133512 0.93 ALDH1A1 (0.70) TSHRALDH1A1CES2THRBHTT
SCHEMBL136784 0.93 ALDH1A1 (0.70) TSHRALDH1A1CES2THRBHTT
SCHEMBL16865884 0.93 ALDH1A1 (0.70) TSHRALDH1A1CES2THRBHTT
SCHEMBL27604960 0.93 ALDH1A1 (0.70) TSHRALDH1A1CES2THRBHTT
SCHEMBL273638 0.93 ALDH1A1 (0.70) TSHRALDH1A1CES2THRBHTT
SCHEMBL22984496 0.91 ALDH1A1 (0.64) TSHRALDH1A1CES2THRBMEN1
SCHEMBL9712898 0.91 ALDH1A1 (0.64) TSHRALDH1A1CES2THRBMEN1
SCHEMBL19064950 0.91 ALDH1A1 (0.64) TSHRALDH1A1CES2THRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 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 (1 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-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TSHR 3443/4885ALDH1A1 617/4885CES2 722/4885

“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.