SCHEMBL847246

SCHEMBL847246

COC(=O)c1ccccc1C#Cc1cc(-c2cccnc2OCc2ccccc2)cc(C(C)(C)C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 1/20 0.38
RORC P51449 3/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RY1 P47900 1/20 0.35

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
SCHEMBL13030231 0.89 RORC (0.36) L3MBTL1PKMRORCCNR1CNR2
SCHEMBL12678914 0.83 TDP1 (0.38) TDP1L3MBTL1PKMRORCCNR1
SCHEMBL847642 0.82 RORC (0.35) RORCCNR1HCRTR1HCRTR2LMNA
SCHEMBL3187209 0.80 IKBKB (0.46) L3MBTL1RORCCNR1CNR2HCRTR1
SCHEMBL1542226 0.80 CYP3A4 (0.41) RORCHPGDSMN1; SMN2
SCHEMBL12678826 0.78 TLR8 (0.41) L3MBTL1RORCLMNAALDH1A1HTT
SCHEMBL1542393 0.77 ALOX5AP (0.40) RORCCNR1CNR2LMNAALDH1A1
SCHEMBL846684 0.76 ERN1 (0.47) RORC
SCHEMBL2362412 0.76 L3MBTL1 (0.43) TDP1L3MBTL1PKMRORCCNR1
SCHEMBL1542307 0.76 ERN1 (0.37) L3MBTL1RORCCNR1CNR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432554-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-03-28 EP disclosed
WO-2010133528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-25 WO disclosed
US-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-11-25 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-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B TDP1 1890/4885L3MBTL1 2149/4885PKM 3897/4885

“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.