SCHEMBL19628279

SCHEMBL19628279

COc1cc(CO)c(Cl)cc1CO

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
TAAR1 Q96RJ0 2/20 0.47
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
SUV39H2 Q9H5I1 5/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.37
HMGCR P04035 1/20 0.37

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
SCHEMBL3396291 0.89 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL29768359 0.89 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL15053663 0.89 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL12486805 0.88 TAAR1 (0.61) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL16068898 0.88 TAAR1 (0.52) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL30422333 0.88 TAAR1 (0.61) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL16156475 0.87 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL14094904 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL1743710 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL13696454 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM ORGANOFUEL SWEDEN AB (SE) 2017-11-23 US 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-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM CBR1, ADH1C, AOC2 PDE4A 4848/4885PDE4B 4817/4885PDE4C 4839/4885

“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.