SCHEMBL4312944

SCHEMBL4312944

[CH2]CCCCOC(=O)OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.38
EPHX1 P07099 3/20 0.36
HTT P42858 1/20 0.36
CYP2C19 P33261 1/20 0.34
CYP19A1 P11511 2/20 0.32
LMNA P02545 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 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
SCHEMBL4307836 0.98 NAAA (0.40) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL4307907 0.98 NAAA (0.39) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL4314580 0.95 NAAA (0.39) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL2901152 0.93 NAAA (0.40) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL9034880 0.87 NAAA (0.30) NAAA
SCHEMBL5245472 0.87 EPHX1 (0.39) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL1559459 0.85 EPHX1 (0.42) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL8579936 0.85 EPHX1 (0.42) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL9035280 0.83 EPHX1 (0.35) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL4343264 0.82 NAAA (0.57) NAAAEPHX1HTTSMN1; SMN2ALDH1A1

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 3 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-6472384-B1 Antimicrobial compounds SANKYO COMPANY, LIMITED (JP) 2002-10-29 US 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-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES TTPA, PHOSPHO1, CAPG NAAA 108/4885EPHX1 631/4885HTT 2210/4885

“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.