SCHEMBL4145745

SCHEMBL4145745

CCCCCCCCCCCC(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
POLB P06746 2/20 0.62
CETP P11597 2/20 0.62
KMT2A Q03164 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2C9 P11712 1/20 0.62
MEN1 O00255 1/20 0.62
SOAT1 P35610 2/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP2D6 P10635 1/20 0.58
HDAC3 O15379 2/20 0.57
HDAC1 Q13547 2/20 0.57
EPHX2 P34913 1/20 0.56
EP300 Q09472 1/20 0.56
KDM4E B2RXH2 1/20 0.55
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54

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
SCHEMBL6017228 0.99 POLB (0.63) GAAPOLBCETPKMT2ACYP1A2
SCHEMBL11616583 0.94 ALDH1A1 (0.67) GAAPOLBCETPKMT2ACYP1A2
SCHEMBL4141668 0.89 ALDH1A1 (0.62) GAAPOLBCETPKMT2ACYP1A2
SCHEMBL7505420 0.88 ALDH1A1 (0.74) GAAPOLBKMT2ACYP1A2CYP3A4
SCHEMBL10713482 0.88 CETP (0.54) GAAPOLBCETPKMT2ACYP1A2
SCHEMBL5444555 0.87 ALDH1A1 (0.81) GAAKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL8181300 0.86 GAA (0.62) GAAPOLBKMT2ACYP1A2CYP3A4
SCHEMBL5878480 0.85 CETP (0.77) CETPKMT2AMEN1SOAT1HDAC3
SCHEMBL9395051 0.85 CETP (0.77) CETPKMT2AMEN1SOAT1HDAC3
SCHEMBL8780472 0.84 ALDH1A1 (0.52) GAAPOLBKMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
WO-2009077844-A2 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA QUONOVA LLC (US) 2009-06-25 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-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA PGLS, TFPI, Q6ZSR9 GAA 413/4885POLB 1144/4885CETP 3041/4885

“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.