SCHEMBL2315804

SCHEMBL2315804

CCCCCCCCC1=CCC(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
CDC25A P30304 6/20 0.37
CDC25B P30305 6/20 0.37
CDC25C P30307 5/20 0.37
GPR84 Q9NQS5 7/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1A1 P04798 1/20 0.33
ALOX5 P09917 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL3021386 1.00 ACHE (0.37) ACHEBACE1CDC25ACDC25BCDC25C
SCHEMBL4629705 1.00 ACHE (0.37) ACHEBACE1CDC25ACDC25BCDC25C
SCHEMBL704205 0.98 ACHE (0.34) ACHEBACE1CDC25ACDC25BCDC25C
Hexanoate SCHEMBL27802806 0.86 SCD (0.51) CDC25ACDC25BCDC25CGPR84
SCHEMBL9992284 0.81 FNTA (0.37)
SCHEMBL7054062 0.80 CYP1A2 (0.34) ACHEBACE1CDC25ACDC25BCDC25C
SCHEMBL9264130 0.76 ACHE (0.40) ACHEBACE1CDC25ACDC25BCDC25C
SCHEMBL8780203 0.76 ACHE (0.40) ACHEBACE1CDC25ACDC25BCDC25C
SCHEMBL14751591 0.75 GPR84 (0.37) ACHEBACE1CDC25ACDC25BCDC25C
SCHEMBL11156027 0.74 ACHE (0.37) ACHEBACE1CDC25ACDC25BCDC25C

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478444-B Efficient catalytic synthesis method of 5-n-octyl-furan-2-one 耕海生物科技(深圳)有限公司 2022-11-15 CN claimed
CN-114478444-A Efficient catalytic synthesis method of 5-n-octyl-furan-2-one 耕海生物科技(深圳)有限公司 2022-05-13 CN claimed
EP-2167025-B1 PRESERVATIVE-FREE COMPOSITIONS COMPRISING CINNAMIC OR ANISIC ACID AND A BENZALDEHYDE (DERIVATIVE) GIVAUDAN SA (CH) 2018-08-08 EP claimed
US-20100183692-A1 COMPOSITIONS GIVAUDAN SA (CH) 2010-07-22 US claimed
EP-2167025-A2 PRESERVATIVE-FREE COMPOSITIONS COMPRISING CINNAMIC OR ANISIC ACID AND A BENZALDEHYDE (DERIVATIVE) Givaudan SA (CH) 2010-03-31 EP claimed
WO-2009000097-A2 PRESERVATIVE-FREE COMPOSITIONS COMPRISING CINNAMIC OR ANISIC ACID AND A BENZALDEHYDE (DERIVATIVE) GIVAUDAN SA (CH) 2008-12-31 WO claimed
US-20080311054-A1 Compositions and Methods to Counteract Oral Malodour GIVAUDAN SA (CH) 2008-12-18 US claimed
US-20080247966-A1 Compositions and Methods to Counteract Oral Malodour GIVAUDAN SA (CH) 2008-10-09 US claimed
EP-1937365-A1 COMPOSITIONS AND METHODS TO COUNTERACT ORAL MALODOUR Givaudan SA (CH) 2008-07-02 EP claimed
EP-1919566-A1 COMPOSITIONS AND METHODS TO COUNTERACT ORAL MALODOUR Givaudan SA (CH) 2008-05-14 EP claimed
WO-2007025401-A1 COMPOSITIONS AND METHODS TO COUNTERACT ORAL MALODOUR GIVAUDAN SA (CH) 2007-03-08 WO claimed
WO-2007025402-A1 COMPOSITIONS AND METHODS TO COUNTERACT ORAL MALODOUR GIVAUDAN SA (CH) 2007-03-08 WO claimed
CN-114478444-B Efficient catalytic synthesis method of 5-n-octyl-furan-2-one 耕海生物科技(深圳)有限公司 2022-11-15 CN disclosed
CN-114478444-B Efficient catalytic synthesis method of 5-n-octyl-furan-2-one 耕海生物科技(深圳)有限公司 2022-11-15 CN disclosed
CN-114478444-A Efficient catalytic synthesis method of 5-n-octyl-furan-2-one 耕海生物科技(深圳)有限公司 2022-05-13 CN disclosed
CN-114478444-A Efficient catalytic synthesis method of 5-n-octyl-furan-2-one 耕海生物科技(深圳)有限公司 2022-05-13 CN disclosed
EP-1937365-A1 COMPOSITIONS AND METHODS TO COUNTERACT ORAL MALODOUR Givaudan SA (CH) 2008-07-02 EP disclosed
EP-1919566-A1 COMPOSITIONS AND METHODS TO COUNTERACT ORAL MALODOUR Givaudan SA (CH) 2008-05-14 EP disclosed
WO-2007025402-A1 COMPOSITIONS AND METHODS TO COUNTERACT ORAL MALODOUR GIVAUDAN SA (CH) 2007-03-08 WO disclosed
WO-2007025401-A1 COMPOSITIONS AND METHODS TO COUNTERACT ORAL MALODOUR GIVAUDAN SA (CH) 2007-03-08 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 (2 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-20080311054-A1 Compositions and Methods to Counteract Oral Malodour TAS2R60, TAS2R40, LPO ACHE 134/4885BACE1 2488/4885CDC25A 3869/4885
US-20100183692-A1 COMPOSITIONS NISCH, CUTA, C9 ACHE 2051/4885BACE1 711/4885CDC25A 2905/4885

“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.