SCHEMBL2085647

SCHEMBL2085647

O=c1c2c(oc3ccccc13)C=C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.59
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 3/20 0.59
CYP3A4 P08684 2/20 0.59
GLA P06280 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
PGAM1 P18669 1/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DDR2 Q16832 1/20 0.43
CA12 O43570 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL10287562 0.81 MAOA (0.47) MAOAKDM4EALDH1A1CYP3A4GLA
Xanthone SCHEMBL29398266 0.75 MAOA (1.00) MAOAKDM4EALDH1A1CYP3A4GLA
SCHEMBL4696277 0.75 MAOA (0.90) MAOAKDM4EALDH1A1CYP3A4GLA
Xanthone SCHEMBL2354794 0.75 MAOA (1.00) MAOAKDM4EALDH1A1CYP3A4GLA
Xanthone SCHEMBL29358061 0.75 MAOA (1.00) MAOAKDM4EALDH1A1CYP3A4GLA
Xanthone SCHEMBL41161 0.75 MAOA (1.00) MAOAKDM4EALDH1A1CYP3A4GLA
Xanthone SCHEMBL18556112 0.73 MAOA (0.95) MAOAKDM4EALDH1A1CYP3A4GLA
Xanthone SCHEMBL5376736 0.73 MAOA (0.95) MAOAKDM4EALDH1A1CYP3A4GLA
Xanthone SCHEMBL4560050 0.73 MAOA (0.95) MAOAKDM4EALDH1A1CYP3A4GLA
Xanthone SCHEMBL11399893 0.73 MAOA (0.95) MAOAKDM4EALDH1A1CYP3A4GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065786-A1 SYNTHESIS OF ROCAGLAMIDE NATURAL PRODUCTS VIA PHOTOCHEMICAL GENERATION OF OXIDOPYRYLIUM SPECIES TRUSTEES OF BOSTON UNIVERSITY 2011-03-17 US disclosed
US-7816544-B2 Synthesis of rocaglamide natural products via photochemical generation of oxidopyrylium species TRUSTEES OF BOSTON UNIVERSITY (US) 2010-10-19 US disclosed
US-20080177093-A1 Synthesis of Rocaglamide Natural Products Via Photochemical Generation of Oxidopyrylium Species TRUSTEES OF BOSTON UNIVERSITY 2008-07-24 US disclosed
WO-2005092876-A1 SYNTHESIS OF ROCAGLAMIDE NATURAL PRODUCTS VIA PHOTOCHEMICAL GENERATION OF OXIDOPYRYLIUM SPECIES TRUSTEES OF BOSTON UNIVERSITY (US) 2005-10-06 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 (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-20110065786-A1 SYNTHESIS OF ROCAGLAMIDE NATURAL PRODUCTS VIA PHOTOCHEMICAL GENERATION OF OXIDOPYRYLIUM SPECIES NFKBIA, NFE2L2, NFKB1 MAOA 1402/4885KDM4E 2938/4885ALDH1A1 408/4885
US-20080177093-A1 Synthesis of Rocaglamide Natural Products Via Photochemical Generation of Oxidopyrylium Species NFKBIA, NFE2L2, NFKB1 MAOA 1402/4885KDM4E 2938/4885ALDH1A1 408/4885

“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.