SCHEMBL4929667

SCHEMBL4929667

O=C(/C=C(O)/C(O)=C/C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.70
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 2/20 0.61
MAPK1 P28482 1/20 0.61
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC3 O15379 1/20 0.59
NCOR2 Q9Y618 1/20 0.59
AKT1 P31749 1/20 0.58
MAPT P10636 4/20 0.52
RECQL P46063 3/20 0.52
PLIN1 O60240 2/20 0.52
LMNA P02545 2/20 0.52
PLIN5 Q00G26 2/20 0.52
ABHD5 Q8WTS1 2/20 0.52
BCHE P06276 1/20 0.52
TNFRSF1A P19438 1/20 0.52
ACHE P22303 1/20 0.52

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
SCHEMBL4929674 1.00 NFE2L2 (0.70) NFE2L2MEN1KMT2AALDH1A1TDP1
SCHEMBL3305728 0.90 NFE2L2 (0.64) NFE2L2MEN1KMT2AALDH1A1TDP1
SCHEMBL3305717 0.90 NFE2L2 (0.64) NFE2L2MEN1KMT2AALDH1A1TDP1
SCHEMBL3305722 0.90 NFE2L2 (0.64) NFE2L2MEN1KMT2AALDH1A1TDP1
SCHEMBL464633 0.82 NFE2L2 (1.00) NFE2L2MEN1KMT2AALDH1A1TDP1
SCHEMBL6426228 0.82 NFE2L2 (1.00) NFE2L2MEN1KMT2AALDH1A1TDP1
SCHEMBL3244802 0.82 NFE2L2 (1.00) NFE2L2MEN1KMT2AALDH1A1TDP1
SCHEMBL2232370 0.81 NFE2L2 (0.53) NFE2L2MEN1KMT2AALDH1A1TDP1
SCHEMBL3310563 0.81 NFE2L2 (0.53) NFE2L2MEN1KMT2AALDH1A1TDP1
SCHEMBL2232374 0.81 NFE2L2 (0.53) NFE2L2MEN1KMT2AALDH1A1TDP1

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-20040034075-A1 Sphingosine kinase inhibitors THE PENNSYLVANIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2004-02-19 US claimed
US-20080280866-A1 Method of Treating or Sepsis HAUSER CARL J 2008-11-13 US disclosed
US-7220764-B2 Such as 5-(2,4-dihydroxy-benzylidene)-3-(4-methoxy-phenyl)-2-thioxo-thiazolidin-4 -one; for treating/preventing hyperproliferative disease, autoimmune disease, inflammatory disease, or allergy THE PENNSYLVANIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-05-22 US disclosed
US-7220764-B2 Such as 5-(2,4-dihydroxy-benzylidene)-3-(4-methoxy-phenyl)-2-thioxo-thiazolidin-4 -one; for treating/preventing hyperproliferative disease, autoimmune disease, inflammatory disease, or allergy THE PENNSYLVANIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-05-22 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 (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-20040034075-A1 Sphingosine kinase inhibitors SPHK1, SPHK2, S1PR1 NFE2L2 3417/4885MEN1 2072/4885KMT2A 2067/4885
US-20080280866-A1 Method of Treating or Sepsis SPHK1, SPHK2, S1PR2 NFE2L2 1387/4885MEN1 4323/4885KMT2A 4205/4885

“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.