SCHEMBL4144101

SCHEMBL4144101

CCCCCCCCCCCC(=O)N(C)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 8/20 0.52
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
GPX4 P36969 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL28746573 0.88 LTB4R2 (0.47) LTB4R2ALDH1A1NPC1TP53RAB9A
SCHEMBL4137831 0.82 FOLH1 (0.51) LTB4R2
SCHEMBL26614645 0.82 NPC1 (0.53) LTB4R2ALDH1A1NPC1TP53RAB9A
SCHEMBL11515226 0.82 NPC1 (0.53) LTB4R2ALDH1A1NPC1TP53RAB9A
SCHEMBL26614476 0.82 NPC1 (0.53) LTB4R2ALDH1A1NPC1TP53RAB9A
SCHEMBL4130517 0.82 NPC1 (0.53) LTB4R2ALDH1A1NPC1TP53RAB9A
SCHEMBL10407826 0.82 NPC1 (0.53) LTB4R2ALDH1A1NPC1TP53RAB9A
SCHEMBL27351408 0.80 CES2 (0.50) LTB4R2ALDH1A1NPC1TP53RAB9A
SCHEMBL12352210 0.80 PGR (0.50) ALDH1A1
SCHEMBL4133101 0.80 NAAA (0.43) LTB4R2ALDH1A1NPC1RAB9AHTT

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 LTB4R2 3377/4885ALDH1A1 4657/4885NPC1 4189/4885

“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.