SCHEMBL2775440

SCHEMBL2775440

CCC(C)(C)C1(O)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL25277592 0.81
SCHEMBL8708682 0.78 EPHX1 (0.32)
SCHEMBL596312 0.77
SCHEMBL25270404 0.77
SCHEMBL19321811 0.75 CYP2C9 (0.41)
SCHEMBL19321824 0.75 CHRM2 (0.31)
SCHEMBL30631342 0.74 TSHR (0.30)
SCHEMBL579902 0.73 OPRM1 (0.35)
SCHEMBL595093 0.73 ALDH1A1 (0.33)
SCHEMBL176374 0.73 ALDH1A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197507-A1 MALODOR REDUCTION COMPOSITIONS The Procter and Gamble Company (US) 2017-08-02 EP claimed
WO-2016049389-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
JP-7330668-A None JP disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
CN-113929866-B Modified resin and resin composition 旭化成株式会社 2023-07-07 CN disclosed
US-11634659-B2 Fragrances with rose scent SYMRISE AG (DE) 2023-04-25 US disclosed
CN-111205424-B Modified resin and resin composition 旭化成株式会社 2022-04-08 CN disclosed
CN-113929866-A Modified resin and resin composition 旭化成株式会社 2022-01-14 CN disclosed
US-20210324300-A1 NOVEL FRAGRANCES WITH ROSE SCENT SYMRISE AG (DE) 2021-10-21 US disclosed
CN-107629183-B Modified resin and resin composition 旭化成株式会社 2021-01-05 CN disclosed
CN-111205424-A Modified resin and resin composition 旭化成株式会社 2020-05-29 CN disclosed
CN-106278999-B S1P regulator 比奥根MA公司 2019-10-25 CN disclosed
CN-105358602-B modified resin and resin composition 旭化成株式会社 2018-12-04 CN disclosed
CN-107629183-A Modified resin and resin combination 旭化成株式会社 2018-01-26 CN disclosed
EP-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP disclosed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US disclosed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US disclosed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US disclosed
JP-H07330668-A NEW ALKYL-SUBSTITUTED CYCLOHEXYL ESTER OF BRANCHED ALIPHATIC CARBOXYLIC ACID AND PRODUCTION THEREOF MARUZEN PETROCHEM CO LTD 1995-12-19 JP 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 (5 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-11634659-B2 Fragrances with rose scent NR1H2, DUOX2, AOX1 ADORA3 4193/4885
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 ADORA3 544/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 ADORA3 1100/4885
US-20210324300-A1 NOVEL FRAGRANCES WITH ROSE SCENT NR1H2, DUOX2, AOX1 ADORA3 4343/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF ADORA3 2424/4885

“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.