SCHEMBL7065716

SCHEMBL7065716

C#CCOC(=O)C(C)(C)O[C]=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
THPO P40225 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
SCHEMBL10010802 0.78 NPC1 (0.36) NPC1TSHRCYP1A2CHRM2CHRM4
SCHEMBL7064864 0.78 CYP4F2 (0.43) TSHRCYP1A2
SCHEMBL27657800 0.77 NPC1 (0.41) NPC1TSHRCYP1A2CHRM2CHRM4
SCHEMBL2478567 0.77 NPC1 (0.41) NPC1TSHRCYP1A2CHRM2CHRM4
SCHEMBL4675815 0.77 NPC1 (0.35) NPC1TSHRCYP1A2CHRM2CHRM4
SCHEMBL4675818 0.77 GAA (0.36) NPC1TSHRCYP1A2CHRM2CHRM4
SCHEMBL10010713 0.76 NPC1 (0.34) NPC1
SCHEMBL6521506 0.76 NPC1 (0.34) NPC1
SCHEMBL16815032 0.75 NPC1 (0.39) NPC1TSHRCYP1A2CHRM2CHRM4
SCHEMBL4677677 0.75 NPC1 (0.39) NPC1TSHRCYP1A2CHRM2CHRM4

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-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED 2003-11-20 US disclosed
US-6586368-B1 Benzofuran derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 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-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients CBR3, CBR1, HAAO NPC1 4434/4885TSHR 1858/4885CYP1A2 432/4885

“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.