SCHEMBL17486509

SCHEMBL17486509

CC(C)CC=CC(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRIK1 P39086 1/20 0.31

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
SCHEMBL16938118 1.00 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL26497469 0.84 CNR2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL25762272 0.79 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2338941 0.79 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL10308676 0.78 ALDH1A1 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL25762212 0.78 CYP2C19 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1734717 0.77
SCHEMBL160033 0.77
SCHEMBL15352 0.77
SCHEMBL13256802 0.77

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 6 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
US-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-03 US disclosed
CN-109415819-A For removing the composition of iron sulfide 株式会社可乐丽 2019-03-01 CN disclosed
US-9714946-B2 Bromodomain binding reagents and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-25 US disclosed
US-20160033519-A1 BROMODOMAIN BINDING REAGENTS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-04 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 (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-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF CDK2, CDK5, CDK9 CHRNB2 1270/4885CHRNB4 2188/4885CHRNA3 1741/4885
US-20160033519-A1 BROMODOMAIN BINDING REAGENTS AND USES THEREOF BRD4, BRD1, BRDT CHRNB2 915/4885CHRNB4 959/4885CHRNA3 1150/4885

“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.