SCHEMBL6907404

SCHEMBL6907404

CCCCCCC1C(=O)C(C(C)(C)O)CCC1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
PRKCA P17252 6/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DAGLA Q9Y4D2 1/20 0.33
PPARG P37231 1/20 0.33
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKD1 Q15139 1/20 0.32
EPHX1 P07099 1/20 0.31
GRM2 Q14416 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PGR P06401 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
SCHEMBL6907037 0.94 ELANE (0.33) CYP1A2HTTLMNA
SCHEMBL6906410 0.81
SCHEMBL8600712 0.69 CYP1A2 (0.46) CYP1A2PRKCATSHRHTTSMN1; SMN2
SCHEMBL2691133 0.67 CYP1A2 (0.41) CYP1A2PRKCATSHRDAGLAPPARG
SCHEMBL158776 0.67 CYP1A2 (0.43) CYP1A2PRKCATSHRHTTSMN1; SMN2
SCHEMBL8964738 0.67 CYP1A2 (0.43) CYP1A2PRKCATSHRHTTSMN1; SMN2
SCHEMBL8964734 0.67 CYP1A2 (0.43) CYP1A2PRKCATSHRHTTSMN1; SMN2
SCHEMBL8965187 0.67 CYP1A2 (0.43) CYP1A2PRKCATSHRHTTSMN1; SMN2
SCHEMBL8965184 0.67 CYP1A2 (0.43) CYP1A2PRKCATSHRHTTSMN1; SMN2
SCHEMBL10455764 0.67 CYP1A2 (0.44) CYP1A2PRKCATSHRHTTSMN1; SMN2

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 CYP1A2 2143/4885PRKCA 3658/4885TSHR 2456/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 CYP1A2 2779/4885PRKCA 2657/4885TSHR 2614/4885

“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.