SCHEMBL6493705

SCHEMBL6493705

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.39
PRKCA P17252 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.33
ALOX15 P16050 2/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
SLC7A5 Q01650 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8277440 0.77
SCHEMBL277505 0.77
SCHEMBL19484299 0.77
SCHEMBL20746195 0.76 DPP4 (0.34) ECE1ALDH1A1TDP1CA2
Isovaleramide SCHEMBL9641 0.75
Isovaleramide SCHEMBL6055503 0.75 ALDH1A1 (0.53) ECE1ALDH1A1TDP1LMNAALOX15
SCHEMBL3392036 0.75 ALDH1A1 (0.38) ECE1ALDH1A1TDP1LMNAALOX15
SCHEMBL15774575 0.74
SCHEMBL14889586 0.74
SCHEMBL15514599 0.74

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
EP-3746035-A1 COOLING GEL COMPOSITION L'OREAL (FR) 2020-12-09 EP disclosed
WO-2019152626-A1 COOLING GEL COMPOSITION L'OREAL (FR) 2019-08-08 WO disclosed
WO-2019036665-A1 COMPOSITIONS COMPRISING AROMATIC ESTER SOLVENTS FOR USE IN OIL AND/OR GAS WELLS AND RELATED METHODS FLOTEK CHEMISTRY, LLC (US) 2019-02-21 WO disclosed
WO-2019036658-A1 COMPOSITIONS COMPRISING NON-HALOGENATED SOLVENTS FOR USE IN OIL AND/OR GAS WELLS AND RELATED METHODS FLOTEK- CHEMISTRY, LLC (US) 2019-02-21 WO disclosed
CN-106573878-A Extraction solvent for extractive distillation and method for separating hydrocarbons using the same 出光兴产株式会社 2017-04-19 CN disclosed
EP-2970753-A1 METHODS AND COMPOSITIONS FOR USE IN OIL AND/OR GAS WELLS Cesi Chemical Inc. (US) 2016-01-20 EP disclosed
WO-2014153102-A1 METHODS AND COMPOSITIONS FOR USE IN OIL AND/OR GAS WELLS CESI CHEMICAL INC. (US) 2014-09-25 WO disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-03 US disclosed
US-6864268-B2 β3 adrenergic receptor agonists PFIZER INC. (US) 2005-03-08 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 ECE1 1265/4885PRKCA 2616/4885ALDH1A1 1552/4885
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES AGTR1, AGTR2, AGT ECE1 160/4885PRKCA 1833/4885ALDH1A1 682/4885

“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.