SCHEMBL5604048

SCHEMBL5604048

CC(C)=CCC/C(C)=C\COC(O)/C=C(/C)CCC=C(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.57
FNTB P49356 4/20 0.57
ALOX15 P16050 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.46
UGT1A1 P22309 1/20 0.46
SQLE Q14534 2/20 0.44
KDM4E B2RXH2 2/20 0.44
PGGT1B P53609 2/20 0.43
GGPS1 O95749 1/20 0.42

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
SCHEMBL5604840 1.00 FNTA (0.57) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL5604599 1.00 FNTA (0.57) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL5604620 1.00 FNTA (0.57) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL3030997 1.00 FNTA (0.57) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL5854350 0.84 FNTA (0.59) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL5604622 0.84 FNTA (0.58) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL5604249 0.84 FNTA (0.58) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL5604645 0.84 FNTA (0.58) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL5604687 0.84 FNTA (0.58) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL3155461 0.83 FNTA (0.62) FNTAFNTBALOX15ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642663-B2 Acetals as insect repellant agents BENCSITS FRANZ (AT) 2014-02-04 US claimed
EP-1567013-B1 ACETALS AS INSECT REPELLANT AGENTS BENCSITS FRANZ (AT) 2007-04-18 EP claimed
US-20050249767-A1 Acetals as insect repellant agents BENCSITS FRANZ 2005-11-10 US claimed
EP-1567013-A1 ACETALS AS INSECT REPELLANT AGENTS Bencsits, Franz (AT) 2005-08-31 EP claimed
WO-2004039158-A1 ACETALS AS INSECT REPELLANT AGENTS BENCSITS FRANZ (AT) 2004-05-13 WO claimed
CN-117462431-A Lemon essence without allergic source and with natural sense 厦门琥珀香精股份有限公司 2024-01-30 CN disclosed
CN-116396801-A Functional sweet essence and preparation method thereof 四川味欣食品科技有限公司 2023-07-07 CN disclosed
CN-115836061-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2023-03-21 CN disclosed
CN-115551829-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2022-12-30 CN disclosed
CN-115379832-A Agent containing caryophyllene, composition and various uses 学校法人近畿大学 2022-11-22 CN disclosed
CN-111770980-A Odorous acetals of ethyl vanillin and ethyl vanillin derivatives 丝趣科尔卡有限公司 2020-10-13 CN disclosed
CN-111448299-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2020-07-24 CN disclosed
CN-111433336-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2020-07-17 CN disclosed
CN-111133086-A Compositions comprising odorants 丝趣科尔卡有限公司 2020-05-08 CN 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-20050249767-A1 Acetals as insect repellant agents API5, AADAC, NAAA FNTA 1025/4885FNTB 2165/4885ALOX15 2663/4885

“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.