SCHEMBL7716571

SCHEMBL7716571

CCC(C)OC(=O)C(C)Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
TSHR P16473 2/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
TBXA2R P21731 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TRPA1 O75762 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
GALR3 O60755 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL4246694 0.86 FAAH (0.42) FAAHMAPTL3MBTL1ZDHHC7TSHR
SCHEMBL9683369 0.84 FAAH (0.41) FAAHMAPTL3MBTL1ZDHHC7TSHR
SCHEMBL4679354 0.83 MAPT (0.42) FAAHMAPTL3MBTL1TSHRCHRM2
SCHEMBL19972885 0.82 FAAH (0.40) FAAHMAPTL3MBTL1
SCHEMBL28714853 0.82 FAAH (0.40) FAAHMAPTL3MBTL1
SCHEMBL19972943 0.82 FAAH (0.40) FAAHMAPTL3MBTL1
SCHEMBL19972886 0.82 FAAH (0.40) FAAHMAPTL3MBTL1
SCHEMBL28705656 0.82 FAAH (0.40) FAAHMAPTL3MBTL1
SCHEMBL2535165 0.81 MAPT (0.41) FAAHMAPTL3MBTL1TSHRCHRM2
SCHEMBL4391353 0.80 FAAH (0.46) FAAHMAPTL3MBTL1TSHRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117695219-A X-ray radiation responsive proteolytic targeting chimeric nano micelle and preparation method and application thereof 中国药科大学 2024-03-15 CN disclosed
US-20130245286-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 US disclosed
US-20130245286-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 US disclosed
US-20130245287-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 US disclosed
US-8481759-B2 Process for producing wine lactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 US disclosed
US-8481759-B2 Process for producing wine lactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 US disclosed
US-20130030193-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION 2013-01-31 US disclosed
US-20130030193-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION 2013-01-31 US disclosed
US-6379552-B1 LIQUID PHASE; USING CYCLODEXTRIN TORAY INDUSTRIES, INC. (JP) 2002-04-30 US disclosed
EP-0970936-A1 A method for resolving optical isomers TORAY INDUSTRIES, INC. (JP) 2000-01-12 EP disclosed
US-5154738-A Passing mixture through gas chromatography column having dialkyl trifluoroacyl ether derivative of cyclodextrin, eluting separated compounds ADVANCED SEPARATION TECHNOLOGIES, INC. (US) 1992-10-13 US disclosed
US-5064944-A Gas Chromatography ADVANCED SEPARATION TECHNOLOGIES INC. (US) 1991-11-12 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 (3 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-20130245286-A1 PROCESS FOR PRODUCING WINE LACTONE SUCLA2, ADH5, PCCA FAAH 2263/4885MAPT 3333/4885L3MBTL1 3311/4885
US-20130245287-A1 PROCESS FOR PRODUCING WINE LACTONE SUCLA2, ADH5, PCCA FAAH 2263/4885MAPT 3333/4885L3MBTL1 3311/4885
US-20130030193-A1 PROCESS FOR PRODUCING WINE LACTONE SUCLA2, ADH5, PCCA FAAH 2263/4885MAPT 3333/4885L3MBTL1 3311/4885

“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.