SCHEMBL5063480

SCHEMBL5063480

CCOCCC(C)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.34
ACACB O00763 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THRB P10828 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL13645912 0.84 ACACB (0.46) TSHRALDH1A1ACACBTHRB
SCHEMBL19151121 0.82 CYP2C9 (0.39) SMN1; SMN2TSHRALDH1A1POLBACACB
SCHEMBL11041780 0.81 MEN1 (0.41) SMN1; SMN2TSHRALDH1A1POLBTHRB
SCHEMBL9902847 0.79 MTNR1A (0.37) SMN1; SMN2TSHRALDH1A1MGAMGAA
SCHEMBL18496308 0.79 MTNR1A (0.37) SMN1; SMN2TSHRALDH1A1MGAMGAA
SCHEMBL23642046 0.78 TSHR (0.47) TSHRALDH1A1ACACBTHRBTAS1R3
SCHEMBL27183116 0.77 DPP4 (0.38) TSHR
SCHEMBL331801 0.76
SCHEMBL21813866 0.76
SCHEMBL224138 0.76 ALDH1A1 (0.34) SMN1; SMN2TSHRALDH1A1MGAMGAA

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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 EP 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 SMN1; SMN2 3056/4885TSHR 191/4885ALDH1A1 1758/4885

“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.