SCHEMBL6902142

SCHEMBL6902142

CCOC(=O)C1CC(C(C)C)CC(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TLR4 O00206 1/20 0.35
FKBP1A P62942 2/20 0.34
FKBP4 Q02790 1/20 0.34
FKBP5 Q13451 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LIPE Q05469 1/20 0.34
LMNA P02545 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL11675198 0.75 ALDH1A1 (0.46) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL17132568 0.74 MAPT (0.45) ALDH1A1MAPTMEN1KMT2A
SCHEMBL5659584 0.72 TLR4 (0.50) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL5896856 0.72 TLR4 (0.47) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL18618382 0.71 MAPT (0.43) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL3630275 0.70 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL4080364 0.70 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B10KDM4EMEN1
Hydrochloric Acid SCHEMBL18586124 0.70 MAPT (0.42) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL6597204 0.69 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL12128825 0.69 PPM1B (0.42) ALDH1A1MAPTMEN1KMT2ATRPM8

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 ALDH1A1 1342/4885MAPT 3751/4885HSD17B10 639/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 ALDH1A1 2461/4885MAPT 4094/4885HSD17B10 568/4885

“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.