SCHEMBL6905830

SCHEMBL6905830

CC(O)C1CCCCCCCCC1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
GBA1 P04062 1/20 0.41
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
KDR P35968 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TRPA1 O75762 2/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
TSHR P16473 1/20 0.32
SLC18A3 Q16572 1/20 0.31
TP53 P04637 1/20 0.31
DHODH Q02127 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
SCHEMBL6907590 1.00 CA1 (0.42) CA1CA2CA4GBA1SLC6A4
SCHEMBL6902583 1.00 CA1 (0.42) CA1CA2CA4GBA1SLC6A4
SCHEMBL1132298 0.97 CA1 (0.43) CA1CA2CA4GBA1SLC6A4
Alcohol SCHEMBL7126494 0.88 CA1 (0.40) CA1CA2CA4GBA1SLC6A4
SCHEMBL6908646 0.85 TRPA1 (0.38) CA1CA2CA4GBA1SLC6A4
SCHEMBL349547 0.83 GBA1 (0.42) CA1CA2CA4GBA1TRPA1
SCHEMBL3914000 0.81 TRPA1 (0.50) CA1CA2CA4SLC6A4OPRM1
SCHEMBL3909860 0.81 CA1 (0.43) CA1CA2CA4SLC6A4OPRM1
SCHEMBL4843434 0.81 TRPA1 (0.50) CA1CA2CA4SLC6A4OPRM1
SCHEMBL7752845 0.78 TRPA1 (0.52) CA1CA2CA4GBA1SLC6A4

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 CA1 4038/4885CA2 3608/4885CA4 4745/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 CA1 4042/4885CA2 3942/4885CA4 4742/4885

“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.