SCHEMBL1358840

SCHEMBL1358840

CCCCCCCCCC(CCCCCCCCCl)C(CCCCCCCCC)CCCCCCCC(=O)Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.64
ALDH1A1 P00352 5/20 0.64
TP53 P04637 1/20 0.52
FAAH O00519 2/20 0.46
FFAR4 Q5NUL3 2/20 0.44
FFAR1 O14842 2/20 0.44
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
GPR84 Q9NQS5 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 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
SCHEMBL21183320 0.93 TSHR (0.75) TSHRALDH1A1TP53FFAR4FFAR1
SCHEMBL1138766 0.93 TSHR (0.75) TSHRALDH1A1TP53FFAR4FFAR1
SCHEMBL28332807 0.89 TSHR (0.82) TSHRALDH1A1TP53FAAHFFAR4
SCHEMBL8093665 0.87 TSHR (0.77) TSHRALDH1A1TP53FAAHFFAR4
SCHEMBL7728588 0.83 TSHR (0.71) TSHRALDH1A1TP53FAAHFFAR4
SCHEMBL28140134 0.82 ALDH1A1 (0.76) TSHRALDH1A1TP53FAAHFFAR4
SCHEMBL28252945 0.82 TSHR (0.70) TSHRALDH1A1TP53FAAHFFAR4
Methylene Chloride SCHEMBL28793823 0.80 TSHR (0.90) TSHRALDH1A1TP53FFAR4FFAR1
Methylene Chloride SCHEMBL28998133 0.80 TSHR (0.90) TSHRALDH1A1TP53FFAR4FFAR1
Methylene Chloride SCHEMBL28087333 0.80 TSHR (0.90) TSHRALDH1A1TP53FFAR4FFAR1

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
EP-2322512-B1 Alkylated benzimidazolone compounds and self-assembled nanostructures generated therefrom XEROX CORP (US) 2015-10-21 EP disclosed
US-9017701-B2 Organogel compositions comprising alkylated benzimidazolones XEROX CORPORATION (US) 2015-04-28 US disclosed
US-20130123375-A1 Organogel Compositions Comprising Alkylated Benzimidazolones NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2013-05-16 US disclosed
US-8362270-B2 Self-assembled nanostructures XEROX CORPORATION (US) 2013-01-29 US disclosed
US-20110282072-A1 SELF-ASSEMBLED NANOSTRUCTURES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-11-17 US disclosed
EP-2322512-A1 Alkylated benzimidazolone compounds and self-assembled nanostructures generated therefrom Xerox Corporation (US) 2011-05-18 EP 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 (2 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-20110282072-A1 SELF-ASSEMBLED NANOSTRUCTURES RB1, CNKSR1, RBBP4 TSHR 1564/4885ALDH1A1 920/4885TP53 130/4885
US-20130123375-A1 Organogel Compositions Comprising Alkylated Benzimidazolones BLM, SBK3, CHEK2 TSHR 4807/4885ALDH1A1 1114/4885TP53 158/4885

“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.