SCHEMBL3415468

SCHEMBL3415468

OOC1CCCCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
EPHX1 P07099 2/20 0.37
CYP2C19 P33261 1/20 0.37
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.32
NAAA Q02083 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3168632 1.00 CA1 (0.42) CA1CA2CA12CA9EPHX1
SCHEMBL3415461 1.00 CA1 (0.42) CA1CA2CA12CA9EPHX1
Cyclohexane SCHEMBL10804991 1.00 CA1 (0.42) CA1CA2CA12CA9EPHX1
SCHEMBL221594 1.00
SCHEMBL3416195 1.00 CA1 (0.42) CA1CA2CA12CA9EPHX1
SCHEMBL3415460 1.00 CA1 (0.42) CA1CA2CA12CA9EPHX1
SCHEMBL3413582 1.00
SCHEMBL8530196 1.00 CA1 (0.42) CA1CA2CA12CA9EPHX1
SCHEMBL4473841 1.00 CA1 (0.42) CA1CA2CA12CA9EPHX1
SCHEMBL1683865 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112062653-A Method for oxidizing cycloalkane under concerted catalysis of metalloporphyrin MOFs PCN-224(Mn)/Cu (II) salt 浙江工业大学 2020-12-11 CN disclosed
CN-111943808-A Method for oxidizing cycloalkane under concerted catalysis of metalloporphyrin MOFs PCN-224(Mn)/Zn (II) salt 浙江工业大学 2020-11-17 CN disclosed
EP-2096097-B1 METHOD FOR PRODUCING OXIDATION PRODUCT OF CYCLOALKANE DAICEL CHEM (JP) 2012-08-22 EP disclosed
US-7834217-B2 Method for producing oxidation product of cycloalkane DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-16 US disclosed
US-20100081848-A1 METHOD FOR PRODUCING OXIDATION PRODUCT OF CYCLOALKANE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
EP-2096097-A1 METHOD FOR PRODUCING OXIDATION PRODUCT OF CYCLOALKANE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-09-02 EP disclosed
EP-0713846-B1 PROCESS FOR PRODUCING CYCLOALKANOL AND CYCLOALKANONE UBE INDUSTRIES (JP) 1998-10-28 EP disclosed
US-5728890-A DECOMPOSING CYCLOALKYLHYDROPEROXIDE BY CONTACT WITH A RUTHENIUM COMPLEX UBE INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed
EP-0713846-A1 PROCESS FOR PRODUCING CYCLOALKANOL AND CYCLOALKANONE UBE INDUSTRIES, LTD. (JP) 1996-05-29 EP disclosed
US-5406001-A Oxidizing cycloalkane with oxygen-containing gas in presence of phenolic compound DSM N.V. (NL) 1995-04-11 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-20100081848-A1 METHOD FOR PRODUCING OXIDATION PRODUCT OF CYCLOALKANE CBR3, CBR1, CYCS CA1 3560/4885CA2 2302/4885CA12 3864/4885

“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.