SCHEMBL21790805

SCHEMBL21790805

CCCC(C)(C)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.45
EPHX2 P34913 1/20 0.45
KIF11 P52732 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ABL1 P00519 4/20 0.40
BCR P11274 4/20 0.40
ALDH1A1 P00352 1/20 0.39
CHRNA7 P36544 2/20 0.39

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
SCHEMBL5982447 0.82 MAPT (0.53) LMNAL3MBTL1POLBMAPTEPHX2
SCHEMBL21790448 0.81 SLC22A12 (0.44) LMNAPOLBMAPTEPHX2KIF11
SCHEMBL21790735 0.79 NQO1 (0.50) LMNAL3MBTL1POLBMAPTKDM4E
SCHEMBL21790446 0.79 MAPK1 (0.46) LMNAL3MBTL1MAPTKDM4EKMT2A
SCHEMBL23084860 0.77 KDM4E (0.38) LMNAMAPTKDM4EKMT2AMEN1
SCHEMBL6233494 0.75 POLB (0.58) LMNAL3MBTL1POLBMAPTEPHX2
SCHEMBL13091135 0.74 GAA (0.45) LMNAL3MBTL1POLBMAPTKDM4E
SCHEMBL19965713 0.74 HDAC3 (0.43) LMNAL3MBTL1POLBMAPTEPHX2
SCHEMBL9232094 0.73 CHRNA7 (0.46) LMNAL3MBTL1POLBMAPTEPHX2
SCHEMBL747450 0.73 POLB (0.59) LMNAL3MBTL1POLBMAPTEPHX2

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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 LMNA 2839/4885L3MBTL1 3811/4885POLB 2240/4885

“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.