SCHEMBL5111354

SCHEMBL5111354

CCCCCc1c(C=O)ccc(OC)c1O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.52
PTGS2 P35354 4/20 0.50
ERN1 O75460 7/20 0.47
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7273581 0.89 ERN1 (0.51) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL28901718 0.83 ERN1 (0.54) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL2428337 0.82 ALDH1A1 (0.42) ALOX5PTGS2ERN1PPARGPPARA
SCHEMBL27531185 0.79 ALOX5 (0.54) ALOX5
SCHEMBL31494239 0.79 ALOX5 (0.46) ALOX5PTGS2ALDH1A1
SCHEMBL7536824 0.79 ALOX5 (0.46) ALOX5PTGS2ALDH1A1
SCHEMBL2432372 0.78 ALDH1A1 (0.43) ALOX5ERN1TLR2TLR1TLR6
SCHEMBL17821776 0.78 ERN1 (0.53) ERN1TLR2TLR1TLR6
SCHEMBL9810574 0.77 HIF1A (0.49) PTGS2ALDH1A1
SCHEMBL3337249 0.77 ERN1 (0.51) ERN1TLR2TLR1TLR6ALDH1A1

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
EP-1363880-A4 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS UNIV AUSTRALIAN (AU) 2008-10-08 EP disclosed
US-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2005-06-16 US disclosed
EP-1363880-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-11-26 EP disclosed
WO-2002060872-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2002-08-08 WO 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-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents TUBB, TUBB3, TUBB1 ALOX5 4816/4885PTGS2 3707/4885ERN1 1682/4885

“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.