SCHEMBL4140954

SCHEMBL4140954

CCCCCCCCOCCC(=O)OCCCCCCCC

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.64
DGKA P23743 1/20 0.64
HTR2C P28335 1/20 0.61
RAD52 P43351 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
FAAH O00519 1/20 0.53
DNM1 Q05193 1/20 0.53
CES2 O00748 1/20 0.52
EPHX1 P07099 1/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 2/20 0.48
PAM P19021 2/20 0.48

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
SCHEMBL3825786 0.98 NAAA (0.62) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL16467087 0.98 NAAA (0.61) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL20210555 0.94 NAAA (0.62) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL20210541 0.94 NAAA (0.62) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL20210609 0.94 NAAA (0.62) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL11152549 0.92 DGKA (0.77) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL20210536 0.92 NAAA (0.59) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL8331528 0.92 DGKA (0.77) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL9632818 0.92 DGKA (0.70) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL17908658 0.92 DGKA (0.70) NAAADGKAHTR2CRAD52NPSR1

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 6 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
WO-2009077844-A2 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA QUONOVA LLC (US) 2009-06-25 WO disclosed
CN-1181039-C Improved method of preparing acrylic acid-2-ethyl caproite ���з��ɹ�˾ 2004-12-22 CN disclosed
US-6603036-B2 Esterification of acrylic acid with 2-ethylhexanol in the presence of at least one stabilizer, with sulfuric acid as catalyst ATOFINA (FR) 2003-08-05 US disclosed
US-20020193623-A1 Process for the manufacture of 2-ethylhexyl acrylate ATOFINA (FR) 2002-12-19 US disclosed
CN-1379015-A Improved method of preparing acrylic acid-2-ethyl caproite ATTHOFINAS (FR) 2002-11-13 CN 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 NAAA 213/4885DGKA 1383/4885HTR2C 4401/4885

“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.