SCHEMBL6904455

SCHEMBL6904455

CCCC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 2/20 0.44
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
HSD11B1 P28845 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 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
SCHEMBL14696671 0.89 MAPT (0.43) MAPTHPGDPKMGRIN2DGRIN3B
SCHEMBL5609729 0.85 EPHX2 (0.42) MAPTHPGDPKMGRIN2DGRIN3B
SCHEMBL21002581 0.85 GRIN2D (0.48) MAPTPKMGRIN2DGRIN3BGRIN1
SCHEMBL6902613 0.83 GRIN2D (0.59) MAPTHPGDPKMGRIN2DGRIN3B
SCHEMBL1712950 0.82 MAPT (0.46) MAPTHPGDPKMGRIN2DGRIN3B
SCHEMBL6902836 0.82 GRIN2D (0.37) MAPTHPGDGRIN2DGRIN3BGRIN1
SCHEMBL14695864 0.82 GRIN2D (0.39) MAPTHPGDGRIN2DGRIN3BGRIN1
SCHEMBL1712949 0.80 MAPT (0.48) MAPTHPGDPKMGRIN2DGRIN3B
SCHEMBL14696231 0.80 ALDH1A1 (0.42) MAPTPKMGRIN2DGRIN3BGRIN1
SCHEMBL17818867 0.80 GRIN2D (0.59) MAPTHPGDPKMGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051256-B1 Process for producing hydroxy adamantane carboxylic acid compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-06-09 US disclosed
US-8481016-B2 Method for inhibition of potential-dependent cation channel KAO CORPORATION (JP) 2013-07-09 US disclosed
US-20130045177-A1 Method for Inhibition of Potential-Dependent Cation Channel KAO CORPORATION (JP) 2013-02-21 US disclosed
EP-1258292-B1 Oxidation catalytic system and oxidation process using same DAICEL CHEM (JP) 2004-05-19 EP disclosed
EP-0824962-B1 USE OF AN OXIDATION CATALYST SYSTEM AND PROCESS FOR OXIDATION WITH THE SAME DAICEL CHEM (JP) 2003-05-07 EP disclosed
EP-0858835-B1 Oxidation catalytic system and oxidation process DAICEL CHEM (JP) 2003-05-07 EP disclosed
EP-1258292-A1 Oxidation catalytic system and oxidation process using same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-20 EP disclosed
US-5981420-A OXIDATION CATALYSTS SYSTEM CONSISTS OF AN N-HYDROXY OR N-OXY IMIDE COMPOUND AND A TRANSITION METAL COMPOUND EXCLUDING A POLYACID AS COCATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-09 US disclosed
US-5958821-A EPOXIDATION OF AN ALKENE USING A CYCLIC N-HYDROXYIMIDE AND A COCATALYST OF A COMPOUND OF A GROUP 2A OR TRANSITION METAL USING OXYGEN; CATALYST SELECTIVITY; FREE OF PHOSPHO-VANADOMOLYBDIC ACID OR TETRAPHENYLPORPHYRINTOATO MANGANESE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0858835-A1 Oxidation catalytic system and oxidation process Daicel Chemical Industries, Ltd. (JP) 1998-08-19 EP disclosed
EP-0824962-A1 OXIDATION CATALYST SYSTEM AND PROCESS FOR OXIDATION WITH THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 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-20130045177-A1 Method for Inhibition of Potential-Dependent Cation Channel TRPM7, TRPM8, OR10J3 MAPT 4039/4885HPGD 1452/4885PKM 4548/4885

“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.