SCHEMBL6914980

SCHEMBL6914980

CC1C2CC3CC(C2)CC1C3.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
EPHX2 P34913 1/20 0.32
HSD11B1 P28845 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL36159 0.96 CYP2C9 (0.44) CYP2C9EPHX2HSD11B1KDM4ETDP1
SCHEMBL28251936 0.93 CYP2C9 (0.42) CYP2C9EPHX2HSD11B1KDM4ETDP1
SCHEMBL28251937 0.93 CYP2C9 (0.42) CYP2C9EPHX2HSD11B1KDM4ETDP1
SCHEMBL11700359 0.76
SCHEMBL12765525 0.76 CYP2C9 (0.35) CYP2C9
SCHEMBL9427059 0.73 CYP2C9 (0.32) CYP2C9
SCHEMBL28325829 0.73 CYP2C9 (0.32) CYP2C9
Methacrylic Acid SCHEMBL2965962 0.72 HSD11B1 (0.39) CYP2C9EPHX2HSD11B1
SCHEMBL24843655 0.71
SCHEMBL12684913 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105308058-B Metal complexes comprising tridentate aminocarbene ligands and hydrogenation reduction methods using the same 株式会社可乐丽 2018-10-12 CN disclosed
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
EP-1283198-A1 PROCESS FOR PRODUCING 2-ALKYL-2-ADAMANTYL ESTER TOKUYAMA CORPORATION (JP) 2003-02-12 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-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 CYP2C9 1461/4885EPHX2 3443/4885HSD11B1 409/4885

“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.