SCHEMBL2853452

SCHEMBL2853452

C=CCCCCCCCCCOc1cc(C=O)c(O)c(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LPAR3 Q9UBY5 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
ALDH2 P05091 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ERN1 O75460 4/20 0.38
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
PLA2G2A P14555 1/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7600418 0.84 ERN1 (0.50) ALDH1A1L3MBTL1LPAR3LPAR2ALDH2
SCHEMBL7598088 0.84 ERN1 (0.50) ALDH1A1L3MBTL1LPAR3LPAR2ALDH2
SCHEMBL2850824 0.80 ERN1 (0.45) ALDH1A1ERN1MAPTLMNA
SCHEMBL16581610 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1LPAR3LPAR2ALDH2
SCHEMBL16581598 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1LPAR3LPAR2ALDH2
SCHEMBL16581589 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1LPAR3LPAR2ALDH2
SCHEMBL2852251 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1LPAR3LPAR2ALDH2
SCHEMBL31269571 0.73 ALDH1A1 (0.62) ALDH1A1L3MBTL1LPAR3LPAR2HTT
SCHEMBL3956860 0.72 ALDH1A1 (0.54) ALDH1A1L3MBTL1LPAR3LPAR2ALDH2
SCHEMBL6851438 0.72 ALDH1A1 (0.54) ALDH1A1L3MBTL1LPAR3LPAR2ALDH2

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 ALDH1A1 1925/4885L3MBTL1 4716/4885LPAR3 4493/4885

“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.