SCHEMBL2851608

SCHEMBL2851608

C=Cc1ccc(-c2cc(CO)c(O)c(CO)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
PDXK O00764 2/20 0.34
AKR1B1 P15121 1/20 0.34
TRPA1 O75762 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC2 Q92769 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CASP6 P55212 1/20 0.32
TSHR P16473 1/20 0.32
ESR1 P03372 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ERN1 O75460 1/20 0.32
POLB P06746 1/20 0.32
ALOX5 P09917 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
GABRB1 P18505 1/20 0.32

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
SCHEMBL6354508 0.80 PDXK (0.40) ALDH1A1PDXKAKR1B1TRPA1KDM4E
SCHEMBL835866 0.77 KDM4E (0.46) ALDH1A1GABRA1GABRB2PDXKKDM4E
SCHEMBL13615635 0.75 KIF11 (0.39) ALDH1A1GABRA1GABRB2TDP1HDAC2
SCHEMBL16180699 0.75 ALDH1A1 (0.65) ALDH1A1TRPA1TDP1HDAC2TSHR
SCHEMBL10782836 0.75 ALOX5 (0.47) KDM4ECASP6ESR1MEN1KMT2A
SCHEMBL10900598 0.75 SHBG (0.42) ALDH1A1KDM4ECASP6ESR1MEN1
SCHEMBL7039070 0.74 ABL1 (0.58) ALDH1A1AKR1B1TRPA1TDP1KDM4E
SCHEMBL2121614 0.74 PTPN1 (0.52) ALDH1A1KDM4EALOX5CYP3A4CYP2D6
SCHEMBL2849503 0.74 CYP1A2 (0.41) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL31298969 0.73 ALDH1A1 (0.61) ALDH1A1TRPA1TDP1HDAC2TSHR

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 1925/4885GABRA1 2799/4885GABRB2 3489/4885

“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.