SCHEMBL6064461

SCHEMBL6064461

CCC/C=C/C(=O)CCCCC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.70
PPARA Q07869 4/20 0.70
TRPA1 O75762 1/20 0.59
KDM4E B2RXH2 1/20 0.54
POLB P06746 2/20 0.52
POLA1 P09884 1/20 0.52
ALOX12 P18054 1/20 0.50
TERT O14746 3/20 0.48
MAPT P10636 2/20 0.48
BLM P54132 2/20 0.48
HSD17B10 Q99714 2/20 0.48
FABP4 P15090 2/20 0.48
PTPN1 P18031 2/20 0.48
PPARD Q03181 2/20 0.48
GMNN O75496 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL6064465 1.00 PPARG (0.70) PPARGPPARATRPA1KDM4EPOLB
SCHEMBL11846589 0.98 PPARG (0.73) PPARGPPARATRPA1KDM4EPOLB
SCHEMBL11846594 0.98 PPARG (0.73) PPARGPPARATRPA1KDM4EPOLB
SCHEMBL21715540 0.94 PPARG (0.69) PPARGPPARATRPA1KDM4EPOLB
SCHEMBL16177712 0.93 PPARG (0.61) PPARGPPARATRPA1KDM4EPOLB
SCHEMBL16177715 0.93 PPARG (0.61) PPARGPPARATRPA1KDM4EPOLB
SCHEMBL2599317 0.91 PPARG (0.82) PPARGPPARATRPA1KDM4EPOLB
SCHEMBL6448401 0.91 PPARG (0.82) PPARGPPARATRPA1KDM4EPOLB
SCHEMBL8593649 0.89 PPARG (0.86) PPARGPPARAKDM4EPOLBTERT
SCHEMBL8698253 0.89 PPARG (0.79) PPARGPPARAKDM4EPOLBTERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638913-A1 PROCESSES FOR PREPARING BETA-HYDROXY-KETONES AND ALPHA, BETA-UNSATURATED KETONES EASTMAN CHEMICAL COMPANY (US) 2006-03-29 EP claimed
US-6960694-B2 Processes for preparing β-hydroxy-ketones and α,β-unsaturated ketones EASTMAN CHEMICAL COMPANY (US) 2005-11-01 US claimed
WO-2005005361-A1 PROCESSES FOR PREPARING BETA-HYDROXY-KETONES AND ALPHA, BETA-UNSATURATED KETONES EASTMAN CHEMICAL COMPANY (US) 2005-01-20 WO claimed
US-20050004401-A1 Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones EASTMAN CHEMICAL COMPANY 2005-01-06 US claimed
US-8304581-B2 Method of enantioselective addition to enones NATIONAL TSING HUA UNIVERSITY (TW) 2012-11-06 US disclosed
US-20110282101-A1 METHOD OF ENANTIOSELECTIVE ADDITION TO ENONES NATIONAL TSING HUA UNIVERSITY (TW) 2011-11-17 US disclosed
US-5583263-A REACTING ACETONE AND BUTYRALDEHYDE IN PRESENCE OF FIXED BED BASIC ION EXCHANGE CROSS ALDOL CATALYST AND WATER, DEHYDRATING IN PRESENCE OF STEAM AND ACID CATALYST, HYDROGENATING TO MIXTURE OF AMYL AND ISOBUTYL METHYL KETONES SHELL OIL COMPANY (US) 1996-12-10 US disclosed
US-4212825-A Aldol condensation and hydrogenation process using a catalyst of nickel and cobalt together with zinc oxide and another metal of groups VIII, IIb, IIIa, IVa and Va of the periodic table BASF AKTIENGESELLSCHAFT (DE) 1980-07-15 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 (2 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-20110282101-A1 METHOD OF ENANTIOSELECTIVE ADDITION TO ENONES CPNE4, ENY2, CYP3A4 PPARG 2432/4885PPARA 2719/4885TRPA1 4725/4885
US-20050004401-A1 Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones EBP, CYP8B1, BCKDK PPARG 776/4885PPARA 341/4885TRPA1 801/4885

“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.