SCHEMBL6912960

SCHEMBL6912960

CCC1C2CC3CC(C2)CC1C3.[AlH3]

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
CXCR3 P49682 3/20 0.32
EPHX2 P34913 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL39664 0.97 HSD11B1 (0.44) HSD11B1CYP2C9L3MBTL1CXCR3EPHX2
SCHEMBL6657914 0.94 HSD11B1 (0.42) HSD11B1CYP2C9L3MBTL1CXCR3EPHX2
SCHEMBL14202660 0.79 HSD11B1 (0.37) HSD11B1CYP2C9L3MBTL1CXCR3
Methacrylic Acid SCHEMBL3906229 0.76 HSD11B1 (0.48) HSD11B1CYP2C9L3MBTL1EPHX2NPSR1
Acrylic Acid SCHEMBL27134396 0.76 HSD11B1 (0.48) HSD11B1L3MBTL1EPHX2NPSR1
SCHEMBL190682 0.74 HSD11B1 (0.41) HSD11B1CYP2C9L3MBTL1CXCR3EPHX2
Ammonia Solution, Strong SCHEMBL28565322 0.74 HSD11B1 (0.37) HSD11B1CYP2C9L3MBTL1
SCHEMBL191696 0.70 HSD11B1 (0.38) HSD11B1CYP2C9L3MBTL1EPHX2NPSR1
SCHEMBL92295 0.69 HSD11B1 (0.37) HSD11B1CYP2C9L3MBTL1
SCHEMBL7099148 0.69 EPHX2 (0.41) HSD11B1L3MBTL1EPHX2NPSR1

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-6770777-B2 REACTING 2-ADAMANTANONE AND ALKYL HALIDE WITH LITHIUM; SALT FORMATION OF LITHIUM 2-ALKYL-2- ADAMANTYL ALCOHOLATE; REACTING WITH (METH)ACRYLOYL HALIDE TOKUYAMA CORPORATION (JP) 2004-08-03 US disclosed
US-20030120106-A1 Reacting a solution of a lithium 2-alkyl-2-adamantyl alcoholate to a (meth)acryloyl halide to produce 2-alkyl-2-admantyl (meth)acrylate TOKUYAMA CORPORATION (JP) 2003-06-26 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 (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-20030120106-A1 Reacting a solution of a lithium 2-alkyl-2-adamantyl alcoholate to a (meth)acryloyl halide to produce 2-alkyl-2-admantyl (meth)acrylate ADH1A, ADH5, ANO2 HSD11B1 409/4885CYP2C9 1461/4885L3MBTL1 2801/4885

“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.