SCHEMBL103445

SCHEMBL103445

CC(C)OC(=O)N(C)N=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL16670851 0.79 MAPT (0.31)
SCHEMBL8385199 0.77 TSHR (0.42) TSHRLMNAHTTNPSR1HCAR2
SCHEMBL6244866 0.74
SCHEMBL7517764 0.72
SCHEMBL10158896 0.70 TSHR (0.43) TSHRLMNAHTTNPSR1HCAR2
SCHEMBL103090 0.69 TSHR (0.33) TSHR
SCHEMBL104266 0.69 LMNA (0.36) TSHRLMNA
SCHEMBL18007722 0.68 TSHR (0.42) TSHRLMNAHTTNPSR1HCAR2
SCHEMBL25509703 0.68 TSHR (0.42) TSHRLMNAHTTNPSR1HCAR2
SCHEMBL25692130 0.68 ALOX5 (0.45) TSHRLMNAHTTNPSR1HCAR2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060535-B1 PROCESS FOR THE CYCLOPROPANATION OF OLEFINS USING N-ALKYL-N-NITROSO COMPOUNDS GIVAUDAN SA (CH) 2020-08-05 EP claimed
US-20170283342-A1 ORGANIC COMPOUNDS Givaudan, S.A. (CH) 2017-10-05 US claimed
US-9718741-B2 Organic compounds Givaudan, S.A. (CH) 2017-08-01 US claimed
US-20160280615-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-09-29 US claimed
EP-3060535-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan S.A. (CH) 2016-08-31 EP claimed
WO-2015059290-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2015-04-30 WO claimed
EP-3060535-B1 PROCESS FOR THE CYCLOPROPANATION OF OLEFINS USING N-ALKYL-N-NITROSO COMPOUNDS GIVAUDAN SA (CH) 2020-08-05 EP disclosed
US-10633314-B2 Method for the conversion of Abienol to Sclarediol GIVAUDAN S.A. (CH) 2020-04-28 US disclosed
EP-3271343-B1 METHOD FOR THE CONVERSION OF ABIENOL TO SCLAREDIOL GIVAUDAN SA (CH) 2019-10-09 EP disclosed
US-20180072644-A1 Method for the Conversion of Abienol to Sclarediol GIVAUDAN S.A. (CH) 2018-03-15 US disclosed
EP-3060542-B1 PREPARATION OF HOMOALLYLIC COMPOUNDS BY REACTION OF CYCLOPROPYLVINYL PRECURSORS WITH BRONSTEDT ACIDS GIVAUDAN SA (CH) 2018-02-21 EP disclosed
US-9884803-B2 Preparation of homoallylic compounds by reaction of cyclopropylvinyl precursors with bronstedt acids GIVAUDAN SA (CH) 2018-02-06 US disclosed
EP-3271343-A1 METHOD FOR THE CONVERSION OF ABIENOL TO SCLAREDIOL Givaudan S.A. (CH) 2018-01-24 EP disclosed
WO-2015059293-A1 PREPARATION OF HOMOALLYLIC COMPOUNDS BY REACTION OF CYCLOPROPYLVINYL PRECURSORS WITH BRONSTEDT ACIDS GIVAUDAN SA (CH) 2015-04-30 WO disclosed
WO-2015059290-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2015-04-30 WO disclosed
US-8728442-B2 Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides BAYER CROPSCIENCE LP (US) 2014-05-20 US disclosed
US-8728442-B2 Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides BAYER CROPSCIENCE LP (US) 2014-05-20 US disclosed
US-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2012-03-08 US disclosed
US-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2012-03-08 US disclosed
WO-2010132509-A2 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2010-11-18 WO 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 (5 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-20180072644-A1 Method for the Conversion of Abienol to Sclarediol CYP51A1, CYP2A13, HSD17B13 TSHR 4274/4885LMNA 1715/4885HTT 4684/4885
US-20170283342-A1 ORGANIC COMPOUNDS NOC2L, NOS2, NCL TSHR 4412/4885LMNA 1494/4885HTT 1293/4885
US-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI SPOUT1, ERG28, DDT TSHR 3921/4885LMNA 2562/4885HTT 864/4885
US-10633314-B2 Method for the conversion of Abienol to Sclarediol CYP51A1, CYP2A13, HSD17B13 TSHR 4274/4885LMNA 1715/4885HTT 4684/4885
US-20160280615-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS NOC2L, NPM1, NOS2 TSHR 4677/4885LMNA 1163/4885HTT 816/4885

“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.