SCHEMBL6906656

SCHEMBL6906656

CCCCC(O)C1CC(C)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NR2F2 P24468 2/20 0.34
RAB9A P51151 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
SLC2A1 P11166 1/20 0.34
EIF4A1 P60842 1/20 0.34
FKBP1A P62942 1/20 0.34
FKBP4 Q02790 1/20 0.34
EPAS1 Q99814 1/20 0.34
FKBP14 Q9NWM8 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7675040 0.87 BACE1 (0.37) TLR4
SCHEMBL913008 0.79 CYP2D6 (0.39)
SCHEMBL1238048 0.78 CYP2D6 (0.44)
SCHEMBL6908242 0.74 TLR4 (0.42) TLR4SMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL1238426 0.74 CYP2D6 (0.38)
SCHEMBL10872014 0.73
SCHEMBL6897845 0.73
SCHEMBL6901626 0.73
SCHEMBL1238202 0.73 CYP2D6 (0.43)
SCHEMBL6902582 0.73

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.