SCHEMBL431734

SCHEMBL431734

CC(C)=CCN(CC=C(C)C)CC=C(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 3/20 0.35
ALOX15 P16050 3/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.31
MAPT P10636 2/20 0.31
NOS1 P29475 1/20 0.31
ALDH1A1 P00352 1/20 0.31
UGT1A1 P22309 1/20 0.31

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
SCHEMBL2809911 0.86 TSHR (0.34) KDM4EALOX15TSHRALDH1A1
SCHEMBL8848573 0.84 KDM4E (0.36) KDM4EKMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL22575357 0.82 KDM4E (0.35) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL15901082 0.80 KDM4E (0.34) KDM4E
SCHEMBL6567233 0.80 MAPT (0.35) KDM4EKMT2AALOX15MEN1CYP3A4
SCHEMBL3037685 0.80 MAPT (0.35) KDM4EKMT2AALOX15MEN1CYP3A4
Hydrochloric Acid SCHEMBL22771839 0.78 KDM4E (0.33) KDM4E
Hydrochloric Acid SCHEMBL28898248 0.78 KDM4E (0.33) KDM4E
SCHEMBL2141526 0.76
SCHEMBL22693092 0.76 KDM4E (0.32) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015121-A1 Compositions, methods and uses for sterically hindered quaternary ammonium compounds BAKER HUGHES INCORPORATED (US) 2008-01-17 US claimed
WO-2008008697-A2 COMPOSITIONS, METHODS AND USES FOR STERICALLY-HINDERED QUATERNARY AMMONIUM COMPOUNDS BAKER HUGHES INCORPORATED (US) 2008-01-17 WO claimed
US-20140370279-A1 METHODS OF COATING A LOW SURFACE ENERGY SUBSTRATE NOVEL POLYMER SOLUTIONS LIMITED (GB) 2014-12-18 US disclosed
EP-2601047-B1 METHODS OF COATING A LOW SURFACE ENERGY SUBSTRATE SYNTOR FINE CHEMICALS LTD (GB) 2014-11-26 EP disclosed
US-8580990-B2 Gold catalyzed hydroamination of alkynes and allenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-12 US disclosed
US-8580990-B2 Gold catalyzed hydroamination of alkynes and allenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-12 US disclosed
US-8580990-B2 Gold catalyzed hydroamination of alkynes and allenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-12 US disclosed
US-8334412-B2 Process for preparing 3-(methylthio)propanal SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-18 US disclosed
US-8173845-B2 Process for producing 3-methylthiopropanal SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20120022295-A1 PROCESS FOR PREPARING 3-(METHYLTHIO)PROPANAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-26 US disclosed
EP-2239252-B1 Process for producing 3-methylthiopropanal SUMITOMO CHEMICAL CO (JP) 2011-10-19 EP disclosed
US-20110166349-A1 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-07 US disclosed
US-20110166349-A1 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-07 US disclosed
EP-2239252-A1 Process for producing 3-methylthiopropanal Sumitomo Chemical Company, Limited (JP) 2010-10-13 EP disclosed
US-20100256419-A1 PROCESS FOR PRODUCING 3-METHYLTHIOPROPANAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-07 US disclosed
WO-2009137810-A2 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-11-12 WO disclosed
WO-2009137810-A2 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-11-12 WO disclosed
US-20080293597-A1 METHOD FOR INHIBITING HYDRATE FORMATION BAKER HUGHES INCORPORATED (US) 2008-11-27 US disclosed
US-20080015121-A1 Compositions, methods and uses for sterically hindered quaternary ammonium compounds BAKER HUGHES INCORPORATED (US) 2008-01-17 US disclosed
WO-2008008697-A2 COMPOSITIONS, METHODS AND USES FOR STERICALLY-HINDERED QUATERNARY AMMONIUM COMPOUNDS BAKER HUGHES INCORPORATED (US) 2008-01-17 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-20080015121-A1 Compositions, methods and uses for sterically hindered quaternary ammonium compounds HDHD5, DHX29, KAT7 KDM4E 3291/4885KMT2A 1584/4885ALOX15 3954/4885
US-20100256419-A1 PROCESS FOR PRODUCING 3-METHYLTHIOPROPANAL MGMT, TPMT, PTMA KDM4E 4370/4885KMT2A 2862/4885ALOX15 2231/4885
US-20080293597-A1 METHOD FOR INHIBITING HYDRATE FORMATION HDHD5, DHX29, DHX9 KDM4E 3503/4885KMT2A 1577/4885ALOX15 3644/4885
US-20120022295-A1 PROCESS FOR PREPARING 3-(METHYLTHIO)PROPANAL PTMA, TMT1A, MGMT KDM4E 4468/4885KMT2A 2036/4885ALOX15 965/4885
US-20110166349-A1 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES AOC3, AOC2, AOC1 KDM4E 982/4885KMT2A 984/4885ALOX15 969/4885

“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.