SCHEMBL6909181

SCHEMBL6909181

CCC1CCC(=O)C1CO

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8026121 0.85 AKR1C4 (0.39) AKR1C4AKR1C3AKR1C2
SCHEMBL8026120 0.85 AKR1C4 (0.39) AKR1C4AKR1C3AKR1C2
SCHEMBL12237112 0.85 AKR1C4 (0.46) AKR1C4AKR1C3AKR1C2TDP1LMNA
SCHEMBL8019513 0.85 AKR1C4 (0.39) AKR1C4AKR1C3AKR1C2
SCHEMBL7718762 0.85 AKR1C4 (0.39) AKR1C4AKR1C3AKR1C2
SCHEMBL11251680 0.81 HTT (0.40) AKR1C4AKR1C3AKR1C2HTT
SCHEMBL13550983 0.76 AKR1C4 (0.55) AKR1C4AKR1C3AKR1C2HTT
SCHEMBL13950672 0.76 AKR1C4 (0.44) AKR1C4AKR1C3AKR1C2TDP1LMNA
SCHEMBL13550982 0.76 AKR1C4 (0.41) AKR1C4AKR1C3AKR1C2
SCHEMBL9653116 0.75 AKR1C4 (0.39) AKR1C4AKR1C3AKR1C2

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 AKR1C4 1439/4885AKR1C3 587/4885AKR1C2 1196/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 AKR1C4 1589/4885AKR1C3 678/4885AKR1C2 1678/4885

“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.