SCHEMBL4914092

SCHEMBL4914092

COc1cc(CO)cc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
RORC P51449 1/20 0.47
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPT P10636 2/20 0.39
MAPK10 P53779 1/20 0.39
TNKS2 Q9H2K2 1/20 0.37
TTR P02766 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 1/20 0.36

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
SCHEMBL11710134 0.85 TNKS2 (0.46) THRBRORCTSHRMAPTTNKS2
SCHEMBL4825263 0.82 TRPV1 (0.49) THRBRORCNPC1RAB9APOLB
SCHEMBL11712211 0.82 TNKS2 (0.60) POLBPDE4DTNKS2ALDH1A1
SCHEMBL1613840 0.81 THRB (0.44) THRBRORCNPC1RAB9APOLB
Water SCHEMBL11707847 0.80 TNKS2 (0.58) POLBPDE4DTNKS2ALDH1A1
SCHEMBL25178695 0.80 ALDH1A1 (0.37) NPC1POLBTTRMEN1ALDH1A1
SCHEMBL1965439 0.78 HPGD (0.48) THRBNPC1POLBALOX15TSHR
SCHEMBL11225194 0.77 HTR2A (0.39) NPC1TNKS2TTRMEN1ALDH1A1
SCHEMBL11708375 0.77 HTR2A (0.39) TNKS2TTRMEN1ALDH1A1KMT2A
SCHEMBL2388964 0.77 MAPT (0.50) THRBRORCALOX15TSHRHSD17B10

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-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF THRB 1168/4885RORC 277/4885NPC1 2332/4885

“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.