SCHEMBL2416668

SCHEMBL2416668

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.52
TRPV1 Q8NER1 2/20 0.52
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.44
LTB4R Q15722 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP3A4 P08684 1/20 0.42
ASAH2 Q9NR71 1/20 0.41
MAPT P10636 3/20 0.40
GMNN O75496 2/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 2/20 0.40
POLB P06746 2/20 0.40
THRB P10828 2/20 0.40
CETP P11597 2/20 0.40
MAPK1 P28482 2/20 0.40
CXCR5 P32302 2/20 0.40
CCR6 P51684 2/20 0.40
BLM P54132 2/20 0.40

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
SCHEMBL2417464 1.00 FAAH (0.52) FAAHTRPV1TSHRALDH1A1LTB4R
SCHEMBL2416670 1.00 FAAH (0.52) FAAHTRPV1TSHRALDH1A1LTB4R
SCHEMBL31538342 0.98 FAAH (0.55) FAAHTRPV1TSHRALDH1A1LTB4R
SCHEMBL31538316 0.98 FAAH (0.55) FAAHTRPV1TSHRALDH1A1LTB4R
SCHEMBL2415402 0.98 FAAH (0.55) FAAHTRPV1TSHRALDH1A1LTB4R
SCHEMBL2415396 0.98 FAAH (0.55) FAAHTRPV1TSHRALDH1A1LTB4R
SCHEMBL2417265 0.98 FAAH (0.55) FAAHTRPV1TSHRALDH1A1LTB4R
SCHEMBL31538386 0.98 FAAH (0.55) FAAHTRPV1TSHRALDH1A1LTB4R
SCHEMBL31538312 0.98 FAAH (0.55) FAAHTRPV1TSHRALDH1A1LTB4R
SCHEMBL31538390 0.94 TSHR (0.46) FAAHTRPV1TSHRALDH1A1LTB4R

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-8399399-B2 compared with their structural isomer 2-methyl-4-dodecanal, are characterized by an odor threshold concentration which is up to 64 times lower GIVAUDAN SA (CH) 2013-03-19 US disclosed
EP-1743880-B1 3- and 4-methyl-dodecenal and their use in fragrance or flavour compositions GIVAUDAN SA (CH) 2011-09-28 EP disclosed
US-20080248177-A1 3- and 4-Methyl Dodecenal and their Use in Fragrance and Flavour Compositions GIVAUDAN SA (CH) 2008-10-09 US disclosed
CN-101198577-A 3- and 4-methyl-dodecenal and their use in fragrance or flavour compositions GIVAUDAN SA (CH) 2008-06-11 CN disclosed
EP-1743880-A1 3- and 4-methyl-dodecenal and their use in fragrance or flavour compositions Givaudan S.A. (CH) 2007-01-17 EP disclosed
WO-2006133591-A1 3-AND 4-METHYL-DODECENAL AND THEIR USE IN FRAGRANCE OF FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2006-12-21 WO 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 (1 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-20080248177-A1 3- and 4-Methyl Dodecenal and their Use in Fragrance and Flavour Compositions COXFA4, FADS2, DHCR24 FAAH 107/4885TRPV1 156/4885TSHR 4755/4885

“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.