SCHEMBL16787698

SCHEMBL16787698

C[Si](C)(C)CCOCn1c(C(F)(F)F)cnc1-c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.50
PPARD Q03181 5/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL15293871 0.89 DGAT1 (0.62) DGAT1PPARDALOX5APFEN1MAPT
SCHEMBL21838857 0.80 DGAT1 (0.41) DGAT1TP53MAPTKDM4ENPC1
SCHEMBL23797464 0.76 DGAT1 (0.44) DGAT1PPARDALOX5APFEN1MAPT
SCHEMBL21838852 0.74 DGAT1 (0.42) DGAT1TP53MAPTKDM4ENPC1
SCHEMBL16660926 0.74 DGAT1 (0.49) DGAT1ALOX5APFEN1TP53MAPT
SCHEMBL9936783 0.73 DGAT1 (0.77) DGAT1KDM4E
SCHEMBL15019899 0.72 MAPT (0.42) MAPTKDM4ENPC1
SCHEMBL31079139 0.72 DGAT1 (0.47) DGAT1PPARDALOX5APFEN1MAPT
SCHEMBL16277767 0.71 DGAT1 (0.39) DGAT1MAPTNPC1
SCHEMBL66909 0.71 DGAT1 (0.47) DGAT1PPARDALOX5APFEN1KDM4E

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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885PPARD 471/4885ALOX5AP 3627/4885

“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.