SCHEMBL15020737

SCHEMBL15020737

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PAX8 Q06710 2/20 0.44
JAK2 O60674 1/20 0.44
TP53 P04637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GPX4 P36969 1/20 0.40
PTGES O14684 2/20 0.39
ALOX5 P09917 2/20 0.39
TSHR P16473 1/20 0.39
RARB P10826 4/20 0.38
PLA2G4B P0C869 1/20 0.38
MEN1 O00255 1/20 0.38
RARA P10276 1/20 0.38
MAPT P10636 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 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
SCHEMBL28729153 0.88 PLA2G2A (0.47) PLA2G2ANPC1RAB9APAX8JAK2
SCHEMBL1822580 0.84 ESR1 (0.40) NPC1RAB9APAX8JAK2TP53
SCHEMBL4680424 0.84 NPC1 (0.49) NPC1RAB9APAX8JAK2TP53
SCHEMBL5058794 0.83 NPC1 (0.49) NPC1RAB9APAX8JAK2TP53
SCHEMBL7096422 0.80 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL1082836 0.80 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL11344801 0.80 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL11344796 0.80 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL6424475 0.80 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL4024848 0.80 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53

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-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-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

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-20130158135-A1 Organogel Compositions Comprising Alkylated Aromatic Acids F12, AHR, RXRG PLA2G2A 1682/4885NPC1 3728/4885RAB9A 1503/4885

“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.