SCHEMBL6902851

SCHEMBL6902851

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 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
SCHEMBL31278453 1.00 TLR4 (0.33) TLR4
SCHEMBL31278068 1.00 TLR4 (0.33) TLR4
SCHEMBL31277753 1.00 TLR4 (0.33) TLR4
SCHEMBL8336178 0.83 TLR4 (0.35) TLR4
SCHEMBL15368049 0.79 TLR4 (0.33) TLR4
SCHEMBL11033610 0.79 TLR4 (0.33) TLR4
SCHEMBL712399 0.79 TLR4 (0.33) TLR4
SCHEMBL901213 0.79 TLR4 (0.33) TLR4
SCHEMBL19296599 0.79 TLR4 (0.33) TLR4
SCHEMBL111047 0.79 TLR4 (0.33) TLR4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020143070-A1 Noxious-insect repellent KANEBO, LTD. 2002-10-03 US claimed
JP-5017310-A None JP disclosed
JP-7126206-A None JP disclosed
EP-1698937-B1 Positive resist composition and pattern-forming method using the same FUJIFILM CORP (JP) 2015-12-23 EP disclosed
EP-1353225-B1 Radiation sensitive composition and compound FUJIFILM CORP (JP) 2014-06-04 EP disclosed
EP-2296039-B1 Positive photosensitive composition FUJIFILM CORP (JP) 2013-09-25 EP disclosed
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
JP-H07126206-A 8-HYDROXY-P-MENTH-3-ONE DERIVATIVE AND NOXIOUS LIFE REPELLING AGENT KANEBO LTD 1995-05-16 JP disclosed
JP-H0517310-A VERMIN REPELLENT SUMITOMO CHEM CO LTD 1993-01-26 JP 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 432/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 TLR4 231/4885

“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.