SCHEMBL6907323

SCHEMBL6907323

CCCCCC1CCC(=O)C(CO)C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.50
CYP1A2 P05177 3/20 0.41
CCR2 P41597 1/20 0.35
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GBA1 P04062 4/20 0.34
PRKCA P17252 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
SCHEMBL11382008 0.87 TLR4 (0.49) TLR4CYP1A2
SCHEMBL6904948 0.81 TLR4 (0.36) TLR4
SCHEMBL11065128 0.81 TLR4 (0.54) TLR4CYP1A2CCR2
SCHEMBL28209525 0.75 TLR4 (0.39) TLR4CYP1A2
SCHEMBL2690407 0.75 CYP1A2 (0.47) TLR4CYP1A2
SCHEMBL20052133 0.75 THRA (0.32) TLR4
SCHEMBL28035595 0.73 TLR4 (0.41) TLR4CYP1A2
SCHEMBL30931491 0.73 CYP1A2 (0.50) TLR4CYP1A2
SCHEMBL30518306 0.73 CYP1A2 (0.50) TLR4CYP1A2
SCHEMBL8025402 0.73 CYP1A2 (0.50) TLR4CYP1A2

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 432/4885CYP1A2 2143/4885CCR2 37/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 TLR4 231/4885CYP1A2 2779/4885CCR2 57/4885

“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.