SCHEMBL6907567

SCHEMBL6907567

CCCCCCCCC1(C(=O)OCC)CCCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
AKT1 P31749 10/20 0.36

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
SCHEMBL28043401 0.96 CYP3A4 (0.36) CYP3A4SIRT2
SCHEMBL4812034 0.96 SIRT2 (0.43) CYP3A4SIRT2AKT1
SCHEMBL6905227 0.96 SIRT2 (0.43) CYP3A4SIRT2AKT1
SCHEMBL4810386 0.94 SIRT2 (0.40) CYP3A4SIRT2AKT1
SCHEMBL4804036 0.91 CYP2C19 (0.39) CYP3A4SIRT2AKT1
SCHEMBL11106658 0.88 CYP3A4 (0.36) CYP3A4
SCHEMBL11106500 0.85 CYP2C19 (0.37) CYP3A4
SCHEMBL4811574 0.85 CYP2C19 (0.41) CYP3A4SIRT2
SCHEMBL28553004 0.84 SIRT2 (0.43) CYP3A4SIRT2
SCHEMBL11754201 0.83 CYP2C19 (0.38) CYP3A4

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 7 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
US-5451600-A FOR TREATMENT OF INFLAMMATORY DISEASES AND TRAUMA INDUCED INFLAMMATION HOFFMANN-LA ROCHE INC. (US) 1995-09-19 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 CYP3A4 3494/4885SIRT2 2661/4885AKT1 1733/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 CYP3A4 3809/4885SIRT2 2415/4885AKT1 1136/4885

“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.