SCHEMBL6903785

SCHEMBL6903785

CC(C)(C)C1CCC(=O)C(CO)C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
TLR4 O00206 4/20 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
SCHEMBL30630701 0.81 HK2 (0.32)
SCHEMBL6652483 0.79 CCR6 (0.34)
SCHEMBL16564631 0.77 CYP19A1 (0.32)
SCHEMBL612141 0.77 CYP19A1 (0.32)
SCHEMBL24340460 0.77 NPC1 (0.34) ALDH1A1RAB9ATLR4
SCHEMBL10562202 0.77 BRD4 (0.35) TLR4
SCHEMBL26615266 0.77 NPC1 (0.34) ALDH1A1RAB9ATLR4
SCHEMBL20052133 0.76 THRA (0.32) TLR4
SCHEMBL294690 0.76 TLR4 (0.34) RAB9ATLR4
SCHEMBL294692 0.76 TLR4 (0.34) RAB9ATLR4

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 CES2 1164/4885ALDH1A1 1342/4885RAB9A 3282/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 CES2 1694/4885ALDH1A1 2461/4885RAB9A 3374/4885

“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.