SCHEMBL16090843

SCHEMBL16090843

C=C/C=C/C=C\CCCCCCCC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.49
SOAT1 P35610 2/20 0.45
FAAH O00519 6/20 0.41
KDM4E B2RXH2 1/20 0.41
PAOX Q6QHF9 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
TERT O14746 3/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
CYP2C19 P33261 2/20 0.39
BLM P54132 2/20 0.39
HSD17B10 Q99714 2/20 0.39
FABP4 P15090 2/20 0.39
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39
PTPN1 P18031 2/20 0.39
PPARG P37231 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARD Q03181 2/20 0.39

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
SCHEMBL11785434 0.98 FASN (0.46) FASNSOAT1FAAHKDM4EPAOX
SCHEMBL29621497 0.92 FASN (0.47) FASNSOAT1FAAHPAOXTERT
SCHEMBL29621313 0.92 FASN (0.47) FASNSOAT1FAAHPAOXTERT
SCHEMBL29621068 0.92 FASN (0.47) FASNSOAT1FAAHPAOXTERT
SCHEMBL17940433 0.92 FASN (0.39) FASNSOAT1FAAHKDM4EPAOX
SCHEMBL3996242 0.92 FASN (0.39) FASNSOAT1FAAHKDM4EPAOX
SCHEMBL3996245 0.92 FASN (0.39) FASNSOAT1FAAHKDM4EPAOX
SCHEMBL31106220 0.92 FASN (0.47) FASNSOAT1FAAHPAOXTERT
SCHEMBL17940434 0.92 FASN (0.39) FASNSOAT1FAAHKDM4EPAOX
SCHEMBL29621317 0.92 FASN (0.47) FASNSOAT1FAAHPAOXTERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180042229-A1 DEUTERIUM-ENRICHED ALDEHYDES DEUTERIA AGROCHEMICALS, LLC 2018-02-15 US disclosed
US-9713330-B1 Deuterium-enriched aldehydes DEUTERIA AGROCHEMICALS, LLC (US) 2017-07-25 US disclosed
US-9713330-B1 Deuterium-enriched aldehydes DEUTERIA AGROCHEMICALS, LLC (US) 2017-07-25 US disclosed
US-9179670-B2 Deuterium-enriched aldehydes DEUTERIA AGROCHEMICALS, LLC (US) 2015-11-10 US disclosed
US-9179670-B2 Deuterium-enriched aldehydes DEUTERIA AGROCHEMICALS, LLC (US) 2015-11-10 US disclosed
US-20150208651-A1 DEUTERIUM-ENRICHED ALDEHYDES DEUTERIA AGROCHEMICALS, LLC 2015-07-30 US disclosed
US-20150208651-A1 DEUTERIUM-ENRICHED ALDEHYDES DEUTERIA AGROCHEMICALS, LLC 2015-07-30 US disclosed
US-9023336-B2 Deuterium-enriched aldehydes Deuterra Agrochemicals, LLC (US) 2015-05-05 US disclosed
US-9023336-B2 Deuterium-enriched aldehydes Deuterra Agrochemicals, LLC (US) 2015-05-05 US disclosed
US-20140271537-A1 DEUTERIUM-ENRICHED ALDEHYDES DEUTERIA AGROCHEMICALS, LLC 2014-09-18 US disclosed
US-20140271537-A1 DEUTERIUM-ENRICHED ALDEHYDES DEUTERIA AGROCHEMICALS, LLC 2014-09-18 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 (3 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-20150208651-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 FASN 871/4885SOAT1 2078/4885FAAH 341/4885
US-20140271537-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 FASN 871/4885SOAT1 2078/4885FAAH 341/4885
US-20180042229-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 FASN 871/4885SOAT1 2078/4885FAAH 341/4885

“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.