SCHEMBL16090835

SCHEMBL16090835

CC/C=C/C=C\CC/C=C\CCCCCC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.53
F7 P08709 4/20 0.51
F3 P13726 4/20 0.51
MAPT P10636 4/20 0.51
PPARG P37231 4/20 0.51
PPARD Q03181 4/20 0.51
PPARA Q07869 4/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP19A1 P11511 3/20 0.51
BLM P54132 3/20 0.51
KMT2A Q03164 3/20 0.51
HSD17B10 Q99714 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
PTGS1 P23219 2/20 0.51
RECQL P46063 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
OXER1 Q8TDS5 1/20 0.51

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
SCHEMBL15908494 0.96 ALDH1A1 (0.56) FASNF7F3MAPTPPARG
SCHEMBL16090848 0.96 FASN (0.56) FASNF7F3MAPTPPARG
SCHEMBL17243851 0.96 FASN (0.56) FASNF7F3MAPTPPARG
SCHEMBL15908497 0.94 FASN (0.55) FASNF7F3MAPTPPARG
SCHEMBL15908495 0.94 FASN (0.55) FASNF7F3MAPTPPARG
SCHEMBL16090824 0.88 ALDH1A1 (0.63) F7F3MAPTPPARGPPARD
SCHEMBL15901154 0.88 ALDH1A1 (0.63) F7F3MAPTPPARGPPARD
SCHEMBL12525345 0.88 ALDH1A1 (0.63) F7F3MAPTPPARGPPARD
SCHEMBL16090823 0.88 ALDH1A1 (0.63) F7F3MAPTPPARGPPARD
SCHEMBL9281846 0.88 ALDH1A1 (0.63) F7F3MAPTPPARGPPARD

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 6 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-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-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

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 871/4885F7 4119/4885F3 2355/4885
US-20140271537-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 FASN 871/4885F7 4119/4885F3 2355/4885
US-20180042229-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 FASN 871/4885F7 4119/4885F3 2355/4885

“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.