SCHEMBL6447701

SCHEMBL6447701

COC(OC)OC(=O)C1CC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
TSHR P16473 1/20 0.30
ALOX12 P18054 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
SCHEMBL294982 0.78 TSHR (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL294509 0.75
SCHEMBL7103265 0.72 CHRNB2 (0.30) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Bicarbonate SCHEMBL10618406 0.71 ATM (0.41) TSHR
SCHEMBL9348489 0.69
SCHEMBL27418862 0.69
SCHEMBL11358811 0.68 ATM (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Formic Acid SCHEMBL29200818 0.68 MAPT (0.38) TSHR
SCHEMBL11444852 0.65 CHRNB2 (0.31) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL5314814 0.65 TSHR (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-6909013-B2 Process for producing cyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-06-21 US disclosed
US-20020151741-A1 Process for producing cyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-17 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-20020151741-A1 Process for producing cyclopropanecarboxylates CYC1, CYP21A2, CYP2A6 CHRNB2 4401/4885CHRNA3 3950/4885CHRNA4 4246/4885

“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.