SCHEMBL4136407

SCHEMBL4136407

CCCCCCCCCCCC(CC=O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
CA2 P00918 2/20 0.34
TSHR P16473 1/20 0.33
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
SMPD1 P17405 3/20 0.30
TRPA1 O75762 1/20 0.30
DDAH1 O94760 1/20 0.30
GAPDH P04406 1/20 0.30
MAPT P10636 1/20 0.30
CTSK P43235 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
SCHEMBL4136401 1.00 ADH1B (0.34) ADH1BADH1CADH1AADH4ADH7
SCHEMBL12083819 1.00 ADH1B (0.34) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9031315 1.00 ADH1B (0.34) ADH1BADH1CADH1AADH4ADH7
SCHEMBL12083670 1.00 ADH1B (0.34) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9031307 1.00 ADH1B (0.34) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9865913 1.00 ADH1B (0.34) ADH1BADH1CADH1AADH4ADH7
SCHEMBL19385831 0.98 CA2 (0.34) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8993618 0.94 CA2 (0.38) CA2TSHRCTSK
SCHEMBL14762701 0.89 TRPV1 (0.44) TSHRFAAHTRPV1MAPT
SCHEMBL14762702 0.89 TRPV1 (0.44) TSHRFAAHTRPV1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258321-B2 Beta-lactone compounds BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-09-04 US disclosed
US-20090124681-A1 BETA-LACTONE COMPOUNDS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 US disclosed
EP-0444482-B1 Oxetanones HOFFMANN LA ROCHE (CH) 1996-01-17 EP disclosed
US-5466708-A Carbamyloxyoxetanone compounds HOFFMANN-LA ROCHE INC. (US) 1995-11-14 US disclosed
US-5376674-A Lipase inhibitors HOFFMAN-LA ROCHE INC. (US) 1994-12-27 US disclosed
US-5260310-A Oxetanone compounds and pharmaceutical compositions containing them HOFFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed
EP-0444482-A2 Oxetanones F. HOFFMANN-LA ROCHE AG (CH) 1991-09-04 EP disclosed
US-4983746-A Oxetanones and process for their production HOFFMANN-LA ROCHE INC. (US) 1991-01-08 US disclosed
EP-0189577-B1 PROCESS FOR THE PREPARATION OF OXETANONES F. HOFFMANN-LA ROCHE AG (CH) 1989-12-13 EP disclosed
EP-0189577-A2 Process for the preparation of oxetanones F. HOFFMANN-LA ROCHE AG (CH) 1986-08-06 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-20090124681-A1 BETA-LACTONE COMPOUNDS LBR, CYP8B1, GLB1 ADH1B 271/4885ADH1C 180/4885ADH1A 210/4885

“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.