SCHEMBL2588504

SCHEMBL2588504

N#CCCCCCCC/C=C/CCCCCCCC#N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.47
EPAS1 Q99814 6/20 0.47
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.36
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
GBA1 P04062 1/20 0.33
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL2588505 1.00 HIF1A (0.47) HIF1AEPAS1TSHRALDH1A1TDP1
SCHEMBL14604285 1.00 HIF1A (0.47) HIF1AEPAS1TSHRALDH1A1TDP1
SCHEMBL29066917 1.00 HIF1A (0.47) HIF1AEPAS1TSHRALDH1A1TDP1
SCHEMBL21441801 0.88 TSHR (0.44) HIF1AEPAS1TSHRALDH1A1TDP1
SCHEMBL23119378 0.88 FAAH (0.52) HIF1AEPAS1TSHRALDH1A1TDP1
SCHEMBL25254569 0.88 TSHR (0.56) TSHRTDP1MAPTFAAHTRPV1
SCHEMBL21646324 0.88 TSHR (0.44) HIF1AEPAS1TSHRALDH1A1TDP1
SCHEMBL21328544 0.88 EPAS1 (0.41) HIF1AEPAS1TSHRALDH1A1TDP1
SCHEMBL22296738 0.88 TSHR (0.56) TSHRTDP1MAPTFAAHTRPV1
SCHEMBL22296755 0.88 TSHR (0.56) TSHRTDP1MAPTFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729456-B1 PREPARATION OF NITRILE COMPOUNDS DSM IP ASSETS BV (NL) 2017-06-28 EP claimed
EP-2941413-B1 PROCESS FOR THE SYNTHESIS OF OMEGA-UNSATURATED NITRILE-ACID/ESTER IN WHICH TWO TYPES OF CROSS METATHESIS ARE ALTERNATED CONSECUTIVELY, SWING PROCESS ARKEMA FRANCE (FR) 2016-10-19 EP claimed
EP-2566842-B1 PROCESS FOR PREPARING SATURATED AMINO ACIDS OR SATURATED AMINO ESTERS COMPRISING A METATHESIS STEP ARKEMA FRANCE (FR) 2016-05-04 EP claimed
US-20150336879-A1 PROCESS FOR THE SYNTHESIS OF OMEGA-UNSATURATED NITRILE-ACID/ESTER IN WHICH TWO TYPES OF CROSS METATHESIS ARE ALTERNATED CONSECUTIVELY, SWING PROCESS ARKEMA FRANCE (FR) 2015-11-26 US claimed
EP-2941413-A1 PROCESS FOR THE SYNTHESIS OF OMEGA-UNSATURATED NITRILE-ACID/ESTER IN WHICH TWO TYPES OF CROSS METATHESIS ARE ALTERNATED CONSECUTIVELY, SWING PROCESS Arkema France (FR) 2015-11-11 EP claimed
US-9096490-B2 Process for preparing saturated amino acids or saturated amino esters comprising a metathesis step ARKEMA FRANCE (FR) 2015-08-04 US claimed
US-9035078-B2 Preparation of nitrile compounds DSM IP ASSETS B.V. (NL) 2015-05-19 US claimed
US-20140213804-A1 PREPARATION OF NITRILE COMPOUNDS DSM IP ASSETS B.V. (NL) 2014-07-31 US claimed
WO-2014106766-A1 PROCESS FOR THE SYNTHESIS OF OMEGA-UNSATURATED NITRILE-ACID/ESTER IN WHICH TWO TYPES OF CROSS METATHESIS ARE ALTERNATED CONSECUTIVELY, SWING PROCESS ARKEMA FRANCE (FR) 2014-07-10 WO claimed
US-20140194584-A1 Process for the synthesis of w-Unsaturated nitrile-acid/ester in which two types of cross metathesis are alternated consecutively swing process ARKEMA FRANCE (FR) 2014-07-10 US claimed
EP-2729456-A1 PREPARATION OF NITRILE COMPOUNDS DSM IP Assets B.V. (NL) 2014-05-14 EP claimed
US-20130116458-A1 PROCESS FOR PREPARING SATURATED AMINO ACIDS OR SATURATED AMINO ESTERS COMPRISING A METATHESIS STEP ARKEMA FRANCE (FR) 2013-05-09 US claimed
EP-2566842-A1 PROCESS FOR PREPARING SATURATED AMINO ACIDS OR SATURATED AMINO ESTERS COMPRISING A METATHESIS STEP Arkema France (FR) 2013-03-13 EP claimed
WO-2013007634-A1 PREPARATION OF NITRILE COMPOUNDS DSM IP ASSETS B.V. (NL) 2013-01-17 WO claimed
WO-2011138051-A1 PROCESS FOR PREPARING SATURATED AMINO ACIDS OR SATURATED AMINO ESTERS COMPRISING A METATHESIS STEP ARKEMA FRANCE (FR) 2011-11-10 WO claimed
EP-2729456-B1 PREPARATION OF NITRILE COMPOUNDS DSM IP ASSETS BV (NL) 2017-06-28 EP disclosed
EP-2941413-B1 PROCESS FOR THE SYNTHESIS OF OMEGA-UNSATURATED NITRILE-ACID/ESTER IN WHICH TWO TYPES OF CROSS METATHESIS ARE ALTERNATED CONSECUTIVELY, SWING PROCESS ARKEMA FRANCE (FR) 2016-10-19 EP disclosed
WO-2011138051-A1 PROCESS FOR PREPARING SATURATED AMINO ACIDS OR SATURATED AMINO ESTERS COMPRISING A METATHESIS STEP ARKEMA FRANCE (FR) 2011-11-10 WO disclosed
US-4217299-A Method for converting unsaturated compound having functional group JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1980-08-12 US disclosed
US-3974196-A Method for disproportionating ethylenically unsaturated compounds having functional ester groups JAPAN SYNTHETIC RUBBER CO., LTD. (JA) 1976-08-10 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 (4 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-20140213804-A1 PREPARATION OF NITRILE COMPOUNDS NOX1, NOXO1, NOS1 HIF1A 566/4885EPAS1 4470/4885TSHR 4202/4885
US-20130116458-A1 PROCESS FOR PREPARING SATURATED AMINO ACIDS OR SATURATED AMINO ESTERS COMPRISING A METATHESIS STEP METTL14, MAX, AADAT HIF1A 1212/4885EPAS1 2316/4885TSHR 4003/4885
US-20150336879-A1 PROCESS FOR THE SYNTHESIS OF OMEGA-UNSATURATED NITRILE-ACID/ESTER IN WHICH TWO TYPES OF CROSS METATHESIS ARE ALTERNATED CONSECUTIVELY, SWING PROCESS FASN, METTL14, ALOX12 HIF1A 1156/4885EPAS1 1054/4885TSHR 4629/4885
US-20140194584-A1 Process for the synthesis of w-Unsaturated nitrile-acid/ester in which two types of cross metathesis are alternated consecutively swing process FASN, METTL14, ELOVL1 HIF1A 936/4885EPAS1 1425/4885TSHR 4772/4885

“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.