SCHEMBL16617718

SCHEMBL16617718

CCOC(=O)c1[nH]nc(C(F)(F)C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
MAPT P10636 3/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 2/20 0.40
PDE4D Q08499 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
AURKA O14965 1/20 0.34
MAPK10 P53779 1/20 0.34
RIPK1 Q13546 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CDC25B P30305 1/20 0.34

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
SCHEMBL2363099 0.90 KDM4E (0.49) KDM4EMAPTKMT2APOLBHSD17B10
SCHEMBL24906375 0.85 KDM4E (0.55) KDM4EMAPTKMT2APOLBHSD17B10
SCHEMBL2362634 0.84 KDM4C (0.42) KDM4EMAPTKMT2APOLBHSD17B10
SCHEMBL4225240 0.82 PDE4D (0.51) KDM4EMAPTKMT2APOLBHSD17B10
SCHEMBL23112765 0.81 KDM4E (0.47) KDM4EMAPTKMT2APOLBHSD17B10
SCHEMBL15564064 0.81 KDM4E (0.46) KDM4EMAPTKMT2APOLBHSD17B10
SCHEMBL30835652 0.79 MAPT (0.44) KDM4EMAPTKMT2APOLBHSD17B10
SCHEMBL13365026 0.79 KDM4E (0.50) KDM4EMAPTKMT2APOLBHSD17B10
SCHEMBL13682657 0.78 KDM4E (0.49) KDM4EMAPTKMT2APOLBHSD17B10
SCHEMBL24906347 0.77 KDM4E (0.40) KDM4EMAPTKMT2APOLBHSD17B10

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-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 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-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 KDM4E 1987/4885MAPT 4164/4885KMT2A 1127/4885

“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.