SCHEMBL6908316

SCHEMBL6908316

CCC1(CO)CCCCCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.31
CYP19A1 P11511 3/20 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
SCHEMBL15658952 0.88 GRIN1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4130871 0.88 GRIN1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8038201 0.86 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2692225 0.86 GRIN1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10412652 0.80 CYP2C19 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20954654 0.79 SIRT2 (0.33) SIRT2
SCHEMBL8624485 0.79 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4433128 0.78 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10727790 0.78 CYP2C19 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10727800 0.78 CYP2C19 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-20040091515-A1 Noxious-insect repellent KANEBO, LTD. 2004-05-13 US disclosed
US-6686396-B2 NO OFFENSIVE ODOR AND EXHIBIT EXCELLENT NOXIOUS-INSECT REPELLING EFFECT AND DURABILITY KANEBO, LTD. (JP) 2004-02-03 US disclosed
US-6677384-B1 CARBOCYCLIC ALCOHOLS SUCH AS 2-HYDROXYMETHYL-3,3,5-TRIMETHYL-CYCLOHEXANOL USED AS ODORLESS, DURABLE LOTIONS TO PREVENT DISEASES KANEBO, LTD. (JP) 2004-01-13 US disclosed
US-20020143070-A1 Noxious-insect repellent KANEBO, LTD. 2002-10-03 US disclosed
US-6372804-B1 HYDROXYALKYLCYCLOALKANOLS REPELLENTS KANEBO, LTD. (JP) 2002-04-16 US disclosed
US-6130255-A EXPOSING NOXIOUS INSECTS TO REPELLENT COMPRISING 2-(1-HYDROXYALKYL)-CYCLOALKANOLS HAVING NO OFFENSIVE ODOR KAO CORPORATION (JP) 2000-10-10 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-20020143070-A1 Noxious-insect repellent OPRM1, OPRD1, L3MBTL1 GRIN2D 182/4885GRIN3B 173/4885GRIN1 67/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 GRIN2D 288/4885GRIN3B 163/4885GRIN1 88/4885

“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.