SCHEMBL2877938

SCHEMBL2877938

CCCC(=O)OCCCCS

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
DGKA P23743 1/20 0.50
HTR2C P28335 1/20 0.49
DNM1 Q05193 1/20 0.46
ALDH1A1 P00352 2/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FAAH O00519 1/20 0.42
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
EPHX2 P34913 1/20 0.39
EPHX1 P07099 1/20 0.38
FOLH1 Q04609 1/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL9420717 0.98 NAAA (0.53) NAAADGKAHTR2CDNM1ALDH1A1
SCHEMBL9420754 0.98 NAAA (0.53) NAAADGKAHTR2CDNM1ALDH1A1
SCHEMBL2871598 0.94 DGKA (0.52) NAAADGKAHTR2CDNM1ALDH1A1
SCHEMBL19733720 0.92 NAAA (0.50) NAAADGKAHTR2CDNM1ALDH1A1
SCHEMBL421653 0.89 NAAA (0.60) NAAADGKAHTR2CDNM1ALDH1A1
SCHEMBL9420819 0.88 DGKA (0.62) NAAADGKAHTR2CDNM1ALDH1A1
SCHEMBL420094 0.87 NAAA (0.64) NAAADGKAHTR2CDNM1ALDH1A1
Pentane-1,5-Dibutanoate SCHEMBL15705199 0.87 NAAA (0.64) NAAADGKAHTR2CDNM1ALDH1A1
SCHEMBL10887322 0.87 HTR2C (0.46) NAAADGKAHTR2CDNM1ALDH1A1
SCHEMBL10961476 0.86 DGKA (0.71) NAAADGKAHTR2CDNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150021528-A1 SOLUBLE FUNCTIONALIZED NANOPARTICLES FOR USE IN OPTICAL MATERIALS STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF UNIVERSITY (US) 2015-01-22 US claimed
EP-1570835-B1 Composition for the permanent deformation of the hair comprising at least one carboxydithiol OREAL (FR) 2010-10-20 EP claimed
US-9513406-B2 Soluble functionalized nanoparticles for use in optical materials UNIVERSITY OF OREGON (US) 2016-12-06 US disclosed
US-20150021528-A1 SOLUBLE FUNCTIONALIZED NANOPARTICLES FOR USE IN OPTICAL MATERIALS STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF UNIVERSITY (US) 2015-01-22 US disclosed
US-20150023643-A1 GRADIENT OPTICAL POLYMER NANOCOMPOSITES State of Oregon acting by and through the State Board of Higher Education on behalf of the Univers (US) 2015-01-22 US disclosed
US-20060276669-A1 Process for preparing sulfonated arylphosphines CELANESE CHEMICALS EUROPE GMBH 2006-12-07 US disclosed
US-7102034-B2 Process for preparing sulfonated arylphosphines CELANESE CHEMICALS EUROPE GMBH (DE) 2006-09-05 US disclosed
US-20050171377-A1 Process for preparing sulfonated arylphosphines CELANESE CHEMICALS EUROPE GMBH 2005-08-04 US disclosed
US-6864387-B2 Process for preparing sulfonated arylphosphines CELANESE CHEMICALS EUROPE GMBH (DE) 2005-03-08 US disclosed
US-20040019236-A1 Process for preparing sulfonated arylphosphines CELANESE CHEMICALS EUROPE GMBH 2004-01-29 US disclosed
US-6610881-B1 Following reaction diluting with water and fedding inert gas stream through solution until sulfur dioxide is no longer liberated CELANESE CHEMICALS EUROPE (DE) 2003-08-26 US 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 (3 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-20060276669-A1 Process for preparing sulfonated arylphosphines ARSA, SNRK, SMOX NAAA 276/4885DGKA 1842/4885HTR2C 3805/4885
US-20040019236-A1 Process for preparing sulfonated arylphosphines SKP1, TST, ARSA NAAA 828/4885DGKA 2529/4885HTR2C 4555/4885
US-20050171377-A1 Process for preparing sulfonated arylphosphines SKP1, ARSA, OSR1 NAAA 620/4885DGKA 1666/4885HTR2C 3777/4885

“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.