SCHEMBL4353226

SCHEMBL4353226

CCCCCCOC(=O)OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.60
EPHX1 P07099 2/20 0.44
TSHR P16473 3/20 0.43
CES2 O00748 1/20 0.42
EPHX2 P34913 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL4310566 0.98 NAAA (0.61) NAAAEPHX1TSHRCES2EPHX2
SCHEMBL4343264 0.98 NAAA (0.57) NAAAEPHX1TSHRCES2EPHX2
SCHEMBL11590755 0.97 NAAA (0.58) NAAAEPHX1TSHREPHX2MAPK1
SCHEMBL4350675 0.97 NAAA (0.58) NAAAEPHX1TSHREPHX2MAPK1
SCHEMBL11590153 0.97 NAAA (0.58) NAAAEPHX1TSHREPHX2MAPK1
SCHEMBL11592192 0.97 NAAA (0.58) NAAAEPHX1TSHREPHX2MAPK1
Hydrazine SCHEMBL27347649 0.93 NAAA (0.55) NAAAEPHX1TSHREPHX2MAPK1
SCHEMBL6446532 0.93 NAAA (0.50) NAAAEPHX1TSHRCES2GAA
SCHEMBL450933 0.93 NAAA (0.54) NAAAEPHX1TSHREPHX2HTT
SCHEMBL6442603 0.93 NAAA (0.50) NAAAEPHX1TSHRCES2GAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. 2009-11-12 US disclosed
US-6844173-B2 Strain of Streptomyces griseus SANKYO COMPANY, LIMITED (JP) 2005-01-18 US disclosed
EP-1319666-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP disclosed
EP-1319406-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP disclosed
US-20030069204-A1 Strain of streptomyces SANKYO COMPANY LIMITED (JP) 2003-04-10 US disclosed
US-6472384-B1 Antimicrobial compounds SANKYO COMPANY, LIMITED (JP) 2002-10-29 US disclosed
EP-1095947-A1 NOVEL ANTIBACTERIAL COMPOUNDS Sankyo Company Limited (JP) 2001-05-02 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 (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-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES TTPA, PHOSPHO1, CAPG NAAA 108/4885EPHX1 631/4885TSHR 3262/4885
US-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 NAAA 220/4885EPHX1 769/4885TSHR 3757/4885

“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.