SCHEMBL4128007

SCHEMBL4128007

CCCCCCCCCCCC(=O)N(C)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 2/20 0.42
EPHX2 P34913 1/20 0.40
ASAH1 Q13510 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL31287485 0.94 ALDH1A1 (0.44) CES2CES1ALDH1A1TSHRTP53
SCHEMBL1114942 0.88 HDAC3 (0.44) ALDH1A1TSHRTP53MAPT
SCHEMBL1115146 0.88 HDAC3 (0.44) ALDH1A1TSHRTP53MAPT
SCHEMBL12679952 0.88 ALDH1A1 (0.40) ALDH1A1TSHRTP53
SCHEMBL10272367 0.87 ALDH1A1 (0.48) CES2CES1ALDH1A1TSHRTP53
Hydrochloric Acid SCHEMBL29135466 0.87 ACHE (0.42) ALDH1A1TSHRTP53
SCHEMBL12679936 0.85 ALOX5 (0.40) ALDH1A1TSHRTP53MAPT
SCHEMBL4138962 0.82 GAA (0.42) MAPTHTT
SCHEMBL23189278 0.81 ALDH1A1 (0.54) CES2CES1ALDH1A1TSHRTP53
SCHEMBL29135429 0.81 LMNA (0.41) ALDH1A1TSHRTP53

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 CES2 4109/4885CES1 4023/4885ALDH1A1 4657/4885

“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.