SCHEMBL6901730

SCHEMBL6901730

CCOC(=O)C1CC(CC)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TLR4 O00206 1/20 0.40
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALOX12 P18054 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL30034563 0.87 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL18870328 0.85 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL5739433 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL10576442 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL30033403 0.83 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL3196831 0.81 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL23857484 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL11676672 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL15416046 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL31756582 0.76 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTKDM4EMEN1

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 1342/4885KMT2A 1676/4885MAPT 3751/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 ALDH1A1 2461/4885KMT2A 2769/4885MAPT 4094/4885

“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.