SCHEMBL6892005

SCHEMBL6892005

Oc1ccccc1C=NCCCNCCCN=Cc1ccccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.77
CA2 P00918 7/20 0.77
CA9 Q16790 6/20 0.77
KDM4E B2RXH2 5/20 0.70
CA1 P00915 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
GAA P10253 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CTRC Q99895 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42

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
SCHEMBL347721 0.94 CA12 (0.68) CA12CA2CA9KDM4ECA1
SCHEMBL347803 0.94 CA12 (0.68) CA12CA2CA9KDM4ECA1
SCHEMBL29610101 0.91 CA12 (0.78) CA12CA2CA9KDM4ECA1
SCHEMBL16221721 0.91 CA12 (0.78) CA12CA2CA9KDM4ECA1
SCHEMBL5350861 0.91 CA12 (0.78) CA12CA2CA9KDM4ECA1
SCHEMBL19209979 0.91 CA12 (0.78) CA12CA2CA9KDM4ECA1
SCHEMBL12996009 0.91 CA12 (0.78) CA12CA2CA9KDM4ECA1
SCHEMBL14674401 0.89 CA12 (0.75) CA12CA2CA9KDM4ECA1
SCHEMBL14674400 0.89 CA12 (0.75) CA12CA2CA9KDM4ECA1
SCHEMBL346868 0.89 CA12 (0.65) CA12CA2CA9KDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468801-B1 PROCESS FOR PRODUCING THERMOPLASTIC RESIN COMPOSITION, MOLDED OBJECT, AND LUMINESCENT OBJECT MITSUBISHI RAYON CO (JP) 2017-04-26 EP disclosed
US-8889785-B2 Production method of thermoplastic resin composition, molded body, and light emission body MITSUBISHI RAYON CO., LTD. (JP) 2014-11-18 US disclosed
US-20120214922-A1 PRODUCTION METHOD OF THERMOPLASTIC RESIN COMPOSITION, MOLDED BODY, AND LIGHT EMISSION BODY MITSUBISHI RAYON CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468801-A1 PROCESS FOR PRODUCING THERMOPLASTIC RESIN COMPOSITION, MOLDED OBJECT, AND LUMINESCENT OBJECT Mitsubishi Rayon Co., Ltd. (JP) 2012-06-27 EP disclosed
US-6810575-B1 COMPRISES SUBSTRATE HAVING ON UPPER SURFACE A PLURALITY OF METAL OXIDE NEEDLES EXTENDING UPWARDLY OF SURFACE WITH THEIR CENTRAL AXES PARALLEL WITH EACH OTHER; NEEDLES HAVE SPECIFIC AVERAGE CIRCLE-BASED DIAMETER, ASPECT RATIO; CAPACITOR ASAHI KASAI CHEMICALS CORPORATION (JP) 2004-11-02 US disclosed
EP-1116707-B1 Process for producing ketoisophorone DAICEL CHEM (JP) 2003-04-23 EP disclosed
EP-0962440-B1 Oxidation catalytic system and process for producing ketoisophorone using the same DAICEL CHEM (JP) 2002-11-13 EP disclosed
US-6462239-B2 USING AN OXIDATION CATALYST COMPRISING A CRYSTALLINE COMPLEX OF MANGANESE WITH N,N'-DISALICYLIDENE C6-12 ARYLENEDIAMINES TO OXIDIZED A SUBSTRATE, E.G., BETA-ISOPHORONE TO AN OXIDE, E.G., KETOISOPHORONE, WITH HIGH EFFICIENCY AND SELECTIVITY DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-08 US disclosed
US-6410797-B1 CATALYTIC OXIDATION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-25 US disclosed
US-20020055657-A1 Process and apparatus for producing ketoisophorone DAICEL CHEMICAL INDUSTRIES,LTD. 2002-05-09 US disclosed
US-6346651-B1 OXIDATION OF BETA-ISOPHORONE WITH CATALYST, SEPARATION FROM SOLVENT, CIRCULATION AND PURIFICATION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-12 US disclosed
US-20020007098-A1 Oxidation catalyst and oxidation process using the same DAICEL CHEMICAL INDUSTRIES, LTD. 2002-01-17 US disclosed
EP-1116707-A1 Process and apparatus for producing ketoisophorone Daicel Chemical Industries, Ltd. (JP) 2001-07-18 EP disclosed
US-6255509-B1 Oxidation catalyst and oxidation process using the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-03 US disclosed
EP-1067107-A1 PROCESS FOR THE PRODUCTION OF KETOISOPHORONE DERIVATIVES AND EQUIPMENT THEREFOR Daicel Chemical Industries, Ltd. (JP) 2001-01-10 EP disclosed
US-6166261-A Oxidation catalytic system and process for producing ketoisophorone using the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-0962252-A2 Manganese complex oxidation catalyst and use thereof Daicel Chemical Industries, Ltd. (JP) 1999-12-08 EP disclosed
EP-0962440-A1 Oxidation catalytic system and process for producing ketoisophorone using the same Daicel Chemical Industries, Ltd. (JP) 1999-12-08 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 (2 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-20020055657-A1 Process and apparatus for producing ketoisophorone DHCR7, KMO, AKR1B10 CA12 851/4885CA2 533/4885CA9 310/4885
US-20020007098-A1 Oxidation catalyst and oxidation process using the same CYP11B2, HSD17B7, CYP11B1 CA12 431/4885CA2 618/4885CA9 548/4885

“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.