SCHEMBL2890299

SCHEMBL2890299

COc1ccc([C@@H](CC(=O)OC(C)(C)C)c2ccccc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
PDE4D Q08499 5/20 0.46
PDE4A P27815 4/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 1/20 0.44
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL2882423 0.87 PDE4A (0.63) PDE4DPDE4APDE4BPDE4C
SCHEMBL2886318 0.83 TDP1 (0.52) TDP1L3MBTL1HPGD
SCHEMBL29174154 0.83 TNF (0.60) TNFPDE4DPDE4APDE4BPDE4C
SCHEMBL29883153 0.83 TNF (0.60) TNFPDE4DPDE4APDE4BPDE4C
SCHEMBL2885762 0.83 MTNR1A (0.54) MTNR1AMTNR1BTDP1L3MBTL1
SCHEMBL3828331 0.83 MTNR1A (0.48) TNFMTNR1AMTNR1BPDE4DPDE4A
SCHEMBL8770891 0.82 MTNR1A (0.50) TNFMTNR1AMTNR1BPDE4DPDE4A
SCHEMBL29184115 0.82 TNF (0.59) TNFPDE4DPDE4APDE4BPDE4C
SCHEMBL2882501 0.81 MTNR1A (0.49) MTNR1AMTNR1BTDP1L3MBTL1
SCHEMBL2882505 0.81 MTNR1A (0.49) MTNR1AMTNR1BTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND MSD K.K. (JP) 2010-05-13 US disclosed
EP-2042478-A1 METHOD FOR PRODUCING -DIARYL ELECTRON-WITHDRAWING GROUP SUBSTITUTED COMPOUND Japan Science and Technology Agency (JP) 2009-04-01 EP 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-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND BMP6, GPR6, ACSL6 TNF 4564/4885MTNR1A 2869/4885MTNR1B 2349/4885

“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.