SCHEMBL6904973

SCHEMBL6904973

CCOC(=O)C1C(=O)CCC(C)C1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37
TLR4 O00206 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL680912 0.90 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL1262342 0.90 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL27905418 0.90 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL5796691 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL1415765 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL23856961 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP2D6TP53
SCHEMBL9815379 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL28993122 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP2D6CYP2C19
SCHEMBL30410792 0.78 CYP2D6 (0.46) ALDH1A1MEN1KMT2ACYP2D6TLR4
SCHEMBL1149817 0.77 MAPT (0.38) ALDH1A1MEN1KMT2ACYP2D6TP53

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 1342/4885MEN1 3794/4885KMT2A 1676/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 ALDH1A1 2461/4885MEN1 4387/4885KMT2A 2769/4885

“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.