SCHEMBL6908242

SCHEMBL6908242

CC1CCC(=O)C(C(C)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NR2F2 P24468 2/20 0.33
RAB9A P51151 2/20 0.33
HIF1A Q16665 2/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC2A1 P11166 1/20 0.33
EIF4A1 P60842 1/20 0.33
FKBP1A P62942 1/20 0.33
FKBP4 Q02790 1/20 0.33
EPAS1 Q99814 1/20 0.33
FKBP14 Q9NWM8 1/20 0.33
HTT P42858 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
SCHEMBL3418934 0.83 TLR4 (0.41) TLR4MT-CO2ALOX5L3MBTL1TRPA1
SCHEMBL29107852 0.77 TLR4 (0.40) TLR4MT-CO2ALOX5L3MBTL1LIPE
SCHEMBL30492023 0.77 TLR4 (0.40) TLR4MT-CO2ALOX5L3MBTL1LIPE
SCHEMBL6282251 0.75 TLR4 (0.43) TLR4
SCHEMBL6906656 0.74 TLR4 (0.39) TLR4SMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL7675040 0.74 BACE1 (0.37) TLR4CA1CA2CA4
SCHEMBL6901433 0.72
SCHEMBL19797347 0.71 FKBP1A (0.67) TLR4SMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL10734273 0.71 CA1 (0.46) SMN1; SMN2LMNAALDH1A1CA1CA2
SCHEMBL13282671 0.70 MAPT (0.37) TLR4TP53MT-CO2ALOX5

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 TLR4 432/4885SMN1; SMN2 1881/4885LMNA 3598/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 TLR4 231/4885SMN1; SMN2 1469/4885LMNA 2758/4885

“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.