SCHEMBL3021386

SCHEMBL3021386

CCCCCCC1=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
SCHEMBL2315804 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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117187010-A New use of nano enzyme capable of removing active oxygen 四川轻化工大学 2023-12-08 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-9084827-B2 Biodegradable polyurethane/urea compositions POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2015-07-21 US claimed
US-20140099277-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2014-04-10 US claimed
US-20130150964-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2013-06-13 US claimed
US-20100183692-A1 COMPOSITIONS GIVAUDAN SA (CH) 2010-07-22 US claimed
US-20080118591-A1 mixture contains perfume ingredients active against gramnegative bacteria; alcohols, aldehydes, ketones, imines, esters compound; low concentrations of Triclosan or other phenolic biocides; for disinfection, cleaning; liquid soaps for washing, shampoo; oral care products, mouth wash, tooth paste GIVAUDAN SA (CH) 2008-05-22 US claimed
US-20080021098-A1 Antifungal Compositions GIVAUDAN SA (CH) 2008-01-24 US claimed
EP-1853214-A1 BACTERICIDAL FORMULATIONS Givaudan SA (CH) 2007-11-14 EP claimed
US-7105628-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2006-09-12 US claimed
WO-2006053458-A1 BACTERICIDAL FORMULATIONS GIVAUDAN SA (CH) 2006-05-26 WO claimed
WO-2005079573-A1 ANTIFUNGAL COMPOSITIONS GIVAUDAN SA (CH) 2005-09-01 WO claimed
US-20040220378-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US claimed
CN-117187010-A New use of nano enzyme capable of removing active oxygen 四川轻化工大学 2023-12-08 CN disclosed
EP-4086329-A1 PERFUME COMPOSITIONS JOHNSON & JOHNSON CONSUMER INC. (US) 2022-11-09 EP disclosed
CN-108546592-B Mixed spice of dark plum and raspberry, preparation method of mixed spice and application of mixed spice in cigarettes 河南中烟工业有限责任公司 2022-02-25 CN disclosed
US-20040220356-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220378-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220377-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220373-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 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-20080021098-A1 Antifungal Compositions ERG28, DPM1, SORD ACHE 3864/4885BACE1 900/4885CDC25A 249/4885
US-20100183692-A1 COMPOSITIONS NISCH, CUTA, C9 ACHE 2051/4885BACE1 711/4885CDC25A 2905/4885
US-20140099277-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS PUF60, UMPS, COL2A1 ACHE 4303/4885BACE1 4733/4885CDC25A 3086/4885

“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.