SCHEMBL2854055

SCHEMBL2854055

CC(C)(OC(=O)C=[N+]=[N-])c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4596471 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15HIF1AKMT2AHTT
Ethane SCHEMBL28624063 0.76 ALDH1A1 (0.47) ALDH1A1ALOX15HIF1AKMT2AHTT
SCHEMBL7086340 0.76 HCAR2 (0.47) ALDH1A1ALOX15HIF1AKMT2AHTT
SCHEMBL7086342 0.76 HCAR2 (0.47) ALDH1A1ALOX15HIF1AKMT2AHTT
SCHEMBL7087313 0.76 HCAR2 (0.47) ALDH1A1ALOX15HIF1AKMT2AHTT
SCHEMBL2868880 0.75 ALDH1A1 (0.46) ALDH1A1ALOX15HIF1AKMT2AMEN1
SCHEMBL6552317 0.74 ALDH1A1 (0.58) ALDH1A1ALOX15HIF1AKMT2AMEN1
SCHEMBL8647287 0.74 ALDH1A1 (0.58) ALDH1A1ALOX15HIF1AKMT2AMEN1
SCHEMBL7099802 0.74 ALDH1A1 (0.58) ALDH1A1ALOX15HIF1AKMT2AMEN1
SCHEMBL25271578 0.74 NPSR1 (0.73) NPSR1ALDH1A1ALOX15HIF1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204038-A1 Catalysts based on metal complexes for the synthesis of optically active chrysanthemic acid CARLONI SILVIA 2010-08-12 US disclosed
EP-1765496-B1 CATALYSTS BASED ON COPPER COMPLEXES FOR THE SYNTHESIS OF OPTICALLY ACTIVE CHRYSANTHEMIC ACID ENDURA SPA (IT) 2010-07-14 EP disclosed
US-7723539-B2 Catalysts based on metal complexes for the synthesis of optically active chrysanthemic acid ENDURA S.P.A. (IT) 2010-05-25 US disclosed
US-20080021237-A1 Catalysts Based on Metal Complexes for the Synthesis of Optically Active Chrysanthemic Acid ENDURA S.P.A. (IT) 2008-01-24 US disclosed
EP-1765496-A1 CATALYSTS BASED ON METAL COMPLEXES FOR THE SYNTHESIS OF OPTICALLY ACTIVE CHRYSANTHEMIC ACID ENDURA S.p.A. (IT) 2007-03-28 EP disclosed
WO-2005123254-A1 CATALYSTS BASED ON METAL COMPLEXES FOR THE SYNTHESIS OF OPTICALLY ACTIVE CHRYSANTHEMIC ACID ENDURA S.P.A. (IT) 2005-12-29 WO 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-20080021237-A1 Catalysts Based on Metal Complexes for the Synthesis of Optically Active Chrysanthemic Acid SCO2, ME1, ME3 NPSR1 4246/4885ALDH1A1 1925/4885ALOX15 1361/4885

“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.