SCHEMBL4312940

SCHEMBL4312940

CCCC[CH]OC(=O)OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.50
EPHX1 P07099 3/20 0.41
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 1/20 0.33
GAA P10253 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
SCHEMBL4307904 0.98 NAAA (0.51) NAAAEPHX1HTTALDH1A1CYP2C19
SCHEMBL4307833 0.95 NAAA (0.53) NAAAEPHX1HTTALDH1A1
SCHEMBL4310562 0.94 NAAA (0.54) NAAAEPHX1HTTALDH1A1
SCHEMBL450932 0.90 NAAA (0.45) NAAAEPHX1HTTALDH1A1CYP2C19
SCHEMBL8630969 0.88 NAAA (0.46) NAAAEPHX1HTTALDH1A1CYP2C19
SCHEMBL451498 0.88 NAAA (0.46) NAAAEPHX1HTTALDH1A1CYP2C19
SCHEMBL8691006 0.86 NAAA (0.41) NAAAEPHX1HTTALDH1A1CYP2C19
SCHEMBL450993 0.82 EPHX1 (0.46) NAAAEPHX1HTTALDH1A1CYP2C19
SCHEMBL8691321 0.82 NAAA (0.36) NAAAEPHX1ALDH1A1
SCHEMBL8579933 0.81 EPHX1 (0.49) NAAAEPHX1HTTALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 WO disclosed
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 631/4885HTT 2210/4885
US-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 NAAA 220/4885EPHX1 769/4885HTT 3854/4885

“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.