SCHEMBL12294526

SCHEMBL12294526

COC(=O)c1ccc(/C=C/c2ccc(/C=C/c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.77
PTPN1 P18031 1/20 0.65
ALDH1A1 P00352 4/20 0.63
MAPT P10636 6/20 0.61
LMNA P02545 3/20 0.57
NPC1 O15118 3/20 0.57
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA12 O43570 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ATM Q13315 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALOX5 P09917 1/20 0.52
RELA Q04206 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
SCHEMBL19909724 1.00 TDP1 (0.77) TDP1PTPN1ALDH1A1MAPTLMNA
SCHEMBL23332277 1.00 TDP1 (0.77) TDP1PTPN1ALDH1A1MAPTLMNA
SCHEMBL5379059 0.92 PTPN1 (0.73) TDP1PTPN1ALDH1A1MAPTLMNA
SCHEMBL31301140 0.92 PTPN1 (0.73) TDP1PTPN1ALDH1A1MAPTLMNA
SCHEMBL71401 0.92 PTPN1 (0.73) TDP1PTPN1ALDH1A1MAPTLMNA
SCHEMBL71402 0.92 PTPN1 (0.73) TDP1PTPN1ALDH1A1MAPTLMNA
SCHEMBL2627847 0.92 PTPN1 (0.73) TDP1PTPN1ALDH1A1MAPTLMNA
SCHEMBL16687613 0.92 TDP1 (0.65) TDP1PTPN1ALDH1A1MAPTLMNA
4-Methylbenzoic Acid Methyl Ester SCHEMBL10539663 0.88 TDP1 (1.00) TDP1ALDH1A1MAPTLMNANPC1
4-Methylbenzoic Acid Methyl Ester SCHEMBL137891 0.88 TDP1 (1.00) TDP1ALDH1A1MAPTLMNANPC1

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-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
EP-2350119-B1 LIPOPEPTIDE COMPOUNDS AND THEIR USE UNIQUEST PTY LTD (AU) 2014-10-29 EP disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US disclosed
WO-2010062264-A1 LIPOPEPTIDE COMPOUNDS AND THEIR USE MERLION PHARMACEUTICALS PTE LTD (SG) 2010-06-03 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-20110224129-A1 Lipopeptide Compounds and Their Use VIP, LTA, CLPTM1 TDP1 4420/4885PTPN1 896/4885ALDH1A1 4746/4885

“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.