SCHEMBL4131718

SCHEMBL4131718

CCCCCCCCCCCC(=O)N1CCCC(C(=O)NCC(C)C)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.56
ITGA2B P08514 7/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
BCHE P06276 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
F2R P25116 4/20 0.48
NAAA Q02083 1/20 0.46
LMNA P02545 1/20 0.45
GNAI3 P08754 2/20 0.44
GNAO1 P09471 2/20 0.44
GNAI1 P63096 2/20 0.44

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
SCHEMBL4141741 0.88 BCHE (0.64) ITGB3ITGA2BKMT2AMEN1L3MBTL1
SCHEMBL4138641 0.84 BCHE (0.64) ITGB3ITGA2BKMT2AMEN1L3MBTL1
SCHEMBL10535920 0.79 MEN1 (0.61) ITGB3ITGA2BKMT2AMEN1L3MBTL1
SCHEMBL9427708 0.79 MEN1 (0.61) ITGB3ITGA2BKMT2AMEN1L3MBTL1
SCHEMBL10535711 0.79 MEN1 (0.61) ITGB3ITGA2BKMT2AMEN1L3MBTL1
SCHEMBL10755546 0.79 MEN1 (0.61) ITGB3ITGA2BKMT2AMEN1L3MBTL1
SCHEMBL10772526 0.79 MEN1 (0.61) ITGB3ITGA2BKMT2AMEN1L3MBTL1
SCHEMBL10535723 0.79 MEN1 (0.61) ITGB3ITGA2BKMT2AMEN1L3MBTL1
SCHEMBL10534671 0.79 MEN1 (0.61) ITGB3ITGA2BKMT2AMEN1L3MBTL1
SCHEMBL13772504 0.78 L3MBTL1 (0.64) ITGB3ITGA2BKMT2AMEN1L3MBTL1

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 ITGB3 2047/4885ITGA2B 2468/4885KMT2A 3636/4885

“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.