SCHEMBL1822580

SCHEMBL1822580

CCCCCCCCCCCCCCCCCCN(C(N)=O)c1cc(C(=O)OC)cc(C(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
MGLL Q99685 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PAX8 Q06710 2/20 0.39
JAK2 O60674 1/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
GPX4 P36969 1/20 0.38
LMNA P02545 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL15020737 0.84 PLA2G2A (0.45) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL4024848 0.73 NPC1 (0.68) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL7096422 0.73 NPC1 (0.68) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL1082836 0.73 NPC1 (0.68) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL11344796 0.73 NPC1 (0.68) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL6424475 0.73 NPC1 (0.68) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL11344801 0.73 NPC1 (0.68) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL4680424 0.72 NPC1 (0.49) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL7268930 0.72 NPC1 (0.50) ESR1NPC1RAB9APAX8JAK2
SCHEMBL8756523 0.72 NPC1 (0.50) ESR1NPC1RAB9APAX8JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2316819-B1 Self-assembled nanostructures XEROX CORP (US) 2017-11-08 EP disclosed
US-9623345-B2 Phase selective gelation with alkylated aromatic acid compounds XEROX CORPORATION (US) 2017-04-18 US disclosed
US-9067878-B2 Organogel compositions comprising alkylated aromatic acids XEROX CORPORATION (US) 2015-06-30 US disclosed
US-8703988-B2 Self-assembled nanostructures XEROX CORPORATION (US) 2014-04-22 US disclosed
US-20130158135-A1 Organogel Compositions Comprising Alkylated Aromatic Acids NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2013-06-20 US disclosed
US-20130153508-A1 Phase Selective Gelation With Alkylated Aromatic Acid Compounds NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2013-06-20 US disclosed
US-20110311813-A1 SELF-ASSEMBLED NANOSTRUCTURES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-12-22 US disclosed
EP-2316819-A2 Self-assembled nanostructures Xerox Corporation (US) 2011-05-04 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-20130158135-A1 Organogel Compositions Comprising Alkylated Aromatic Acids F12, AHR, RXRG ESR1 763/4885MGLL 1024/4885NPC1 3728/4885
US-20110311813-A1 SELF-ASSEMBLED NANOSTRUCTURES ARG1, H1-3, H1-4 ESR1 771/4885MGLL 3578/4885NPC1 1251/4885

“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.