SCHEMBL2411575

SCHEMBL2411575

CCCCCCCC=C(C)CCC=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
FAAH O00519 3/20 0.52
TRPV1 Q8NER1 2/20 0.52
HPGD P15428 1/20 0.50
EP300 Q09472 1/20 0.47
LSS P48449 1/20 0.42
TERT O14746 3/20 0.41
MAPT P10636 2/20 0.41
BLM P54132 2/20 0.41
HSD17B10 Q99714 2/20 0.41
FABP4 P15090 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2417497 1.00 TSHR (0.58) TSHRFAAHTRPV1HPGDEP300
SCHEMBL2411571 1.00 TSHR (0.58) TSHRFAAHTRPV1HPGDEP300
SCHEMBL10837620 0.92 TSHR (0.54) TSHRFAAHTRPV1HPGDMAPT
SCHEMBL10837616 0.92 TSHR (0.54) TSHRFAAHTRPV1HPGDMAPT
SCHEMBL7455269 0.90 TSHR (0.61) TSHRFAAHTRPV1HPGDEP300
SCHEMBL7455271 0.90 TSHR (0.61) TSHRFAAHTRPV1HPGDEP300
SCHEMBL6711721 0.84 TSHR (0.52) TSHRFAAHTRPV1HPGDLSS
SCHEMBL6711719 0.84 TSHR (0.52) TSHRFAAHTRPV1HPGDLSS
SCHEMBL9545687 0.83 EP300 (0.48) FAAHEP300LSSTERTMAPT
SCHEMBL9545718 0.83 EP300 (0.48) FAAHEP300LSSTERTMAPT

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-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
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
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
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
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
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 TSHR 4755/4885FAAH 107/4885TRPV1 156/4885

“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.