SCHEMBL6910262

SCHEMBL6910262

CC1(CO)CCCCC1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.36
ACHE P22303 2/20 0.36
CDC25A P30304 2/20 0.35
CDC25B P30305 2/20 0.35
CYP19A1 P11511 4/20 0.33
HSD11B1 P28845 2/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 2/20 0.33
NR1H3 Q13133 1/20 0.33
HSD11B2 P80365 1/20 0.33
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP3A4 P08684 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
SCHEMBL6909052 0.93
SCHEMBL12166757 0.82 GAA (0.34) SLC6A3SLC6A4
SCHEMBL19580571 0.80 SLC6A3 (0.38) SLC6A3SLC6A4CYP2C9TSHRCYP2C19
SCHEMBL5245937 0.77 CDC25A (0.35) BCHEACHECDC25ACDC25BCYP19A1
SCHEMBL24615822 0.77 SLC6A3 (0.35) SLC6A3SLC6A4
SCHEMBL16317073 0.77 SLC6A3 (0.46) SLC6A3SLC6A4
SCHEMBL12166545 0.77 SLC6A3 (0.33) CDC25ACDC25BSLC6A3SLC6A4
SCHEMBL16317089 0.77 SLC6A3 (0.46) SLC6A3SLC6A4
SCHEMBL21606666 0.75 SLC6A3 (0.39) SLC6A3SLC6A4
SCHEMBL28628249 0.75 CYP1A2 (0.41) HSD11B1SLC6A3TSHRCYP2C19CYP3A4

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 BCHE 1059/4885ACHE 359/4885CDC25A 1069/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 BCHE 593/4885ACHE 186/4885CDC25A 1377/4885

“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.