SCHEMBL9623348

SCHEMBL9623348

CC(C)(C)OC1CCCCCCCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ACHE P22303 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
CYP19A1 P11511 1/20 0.32
EPHX1 P07099 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL190490 1.00 CA1 (0.33) CA1CA2ACHECA12CA9
SCHEMBL13696645 1.00 CA1 (0.33) CA1CA2ACHECA12CA9
SCHEMBL12166804 1.00 CA1 (0.33) CA1CA2ACHECA12CA9
SCHEMBL191513 0.97 ACHE (0.30) ACHE
Methane SCHEMBL29077722 0.94 CYP19A1 (0.32) CYP19A1NPC1
SCHEMBL2696797 0.91
SCHEMBL22959617 0.84
SCHEMBL21933618 0.84
SCHEMBL10202604 0.84
SCHEMBL11625556 0.82 CA1 (0.33) CA1CA2ACHECA12CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US disclosed
EP-0262388-B1 DERIVATIVES OF 2-TERT.-BUTYL-4-METHYL-CYCLOHEXANOL, THEIR PREPARATION AND USE AS FRAGRANCE COMPOUNDS BASF Aktiengesellschaft (DE) 1992-03-04 EP 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 (1 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-20070179100-A1 Protected monomers PCNA, POLN, PARP1 CA1 3859/4885CA2 3785/4885ACHE 4691/4885

“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.