SCHEMBL16090830

SCHEMBL16090830

CCCC[C@H]1C[C@H]1CCCCCCCCCC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.62
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.42
PAOX Q6QHF9 1/20 0.42
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
TRPV1 Q8NER1 6/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
HPSE Q9Y251 1/20 0.39
PPARG P37231 4/20 0.39
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
GPR84 Q9NQS5 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
TLR2 O60603 1/20 0.39
MEN1 O00255 1/20 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
SCHEMBL18650257 0.91 ALOX5 (0.62) ALOX5TSHRALDH1A1CES2CES1
SCHEMBL12169161 0.90 ALOX5 (0.81) ALOX5TSHRALDH1A1PPARGPPARD
SCHEMBL14438147 0.85 ALOX5 (0.46) ALOX5TSHRALDH1A1PAOXCES2
SCHEMBL8920945 0.85 ALOX5 (0.86) ALOX5TSHRALDH1A1PPARGPPARD
SCHEMBL8920949 0.85 ALOX5 (0.86) ALOX5TSHRALDH1A1PPARGPPARD
SCHEMBL25802613 0.83 ALOX5 (0.53) ALOX5TSHRALDH1A1PAOXTRPV1
SCHEMBL23390585 0.82 ALOX5 (0.70) ALOX5TSHRALDH1A1CES2CES1
SCHEMBL21173235 0.82 ALOX5 (0.51) ALOX5TRPV1CNR1CNR2PPARG
SCHEMBL825822 0.81 ALOX5 (0.93) ALOX5TSHRALDH1A1PPARGPPARD
SCHEMBL12169162 0.81 ALOX5 (0.93) ALOX5TSHRALDH1A1PPARGPPARD

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 ALOX5 340/4885TSHR 2434/4885ALDH1A1 11/4885
US-20140271537-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 ALOX5 340/4885TSHR 2434/4885ALDH1A1 11/4885
US-20180042229-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 ALOX5 340/4885TSHR 2434/4885ALDH1A1 11/4885

“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.