SCHEMBL5511599

SCHEMBL5511599

[CH2]OC(=O)OCCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
BLM P54132 1/20 0.35
ALDH1A1 P00352 3/20 0.33
PKM P14618 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN1 P18031 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RARB P10826 1/20 0.33
TSHR P16473 3/20 0.32
CA1 P00915 3/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ACHE P22303 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL305152 0.87 CA1 (0.43) TDP1ALDH1A1PKMKDM4EGAA
SCHEMBL9069149 0.87 BLM (0.40) TDP1BLMALDH1A1PKMPTPN1
SCHEMBL5511600 0.83 PKM (0.38) TDP1BLMALDH1A1PKMKDM4E
SCHEMBL31633803 0.83 BLM (0.38) TDP1BLMALDH1A1PKMPTPN1
SCHEMBL2347061 0.80 RARB (0.42) TDP1BLMALDH1A1PKMPTPN1
SCHEMBL5508672 0.79 ALDH1A1 (0.54) TDP1BLMALDH1A1GAAKMT2A
SCHEMBL6269256 0.78 RARB (0.41) BLMALDH1A1RARBTSHRACHE
SCHEMBL1940168 0.78 RARB (0.41) BLMALDH1A1RARBTSHRACHE
SCHEMBL3151344 0.78 RARB (0.41) BLMALDH1A1RARBTSHRACHE
SCHEMBL2338283 0.78 RARB (0.41) BLMALDH1A1RARBTSHRACHE

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-7157442-B2 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2007-01-02 US disclosed
EP-1209166-B1 NOVEL A-500359 DERIVATIVES SANKYO CO (JP) 2004-03-31 EP disclosed
US-20030171330-A1 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2003-09-11 US disclosed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 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 (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-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 TDP1 4351/4885BLM 2245/4885ALDH1A1 356/4885

“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.