SCHEMBL16407983

SCHEMBL16407983

CCOC(OCC)c1ccc(CCCCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.46
CYP4F2 P78329 2/20 0.46
ACHE P22303 5/20 0.44
PTGS2 P35354 5/20 0.44
BCHE P06276 5/20 0.44
CA2 P00918 2/20 0.41
SPHK1 Q9NYA1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
ESR1 P03372 2/20 0.38
CYP3A4 P08684 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL16407985 0.98 CYP4A11 (0.45) CYP4A11CYP4F2ACHEPTGS2BCHE
SCHEMBL2235768 0.95 ACHE (0.45) CYP4A11CYP4F2ACHEPTGS2BCHE
SCHEMBL5796026 0.87 PTGS2 (0.47) CYP4A11CYP4F2ACHEPTGS2BCHE
SCHEMBL5983708 0.84 HTR2A (0.53) ACHEPTGS2ALDH1A1LMNAESR1
SCHEMBL8947378 0.84 CA2 (0.44) ACHEPTGS2BCHECA2ALDH1A1
SCHEMBL3126542 0.80 ACHE (0.46) ACHEPTGS2BCHECA2
SCHEMBL4738416 0.80 ACHE (0.50) ACHEPTGS2BCHEESR1PPARA
SCHEMBL20373528 0.79 CYP4A11 (0.44) CYP4A11CYP4F2ACHEPTGS2BCHE
SCHEMBL6394314 0.77 PTGS2 (0.57) ACHEPTGS2BCHELMNAESR1
SCHEMBL5953374 0.77 HTR2A (0.47) CYP4A11CYP4F2ACHEPTGS2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278989-B2 Sugar-derived gelator KYUSHU UNIVERSITY (JP) 2016-03-08 US disclosed
US-20150025157-A1 NOVEL SUGAR-DERIVED GELATOR INSTITUTE OF SYSTEMS, INFORMATION TECHNOLOGIES AND NANOTECHNOLOGIES (JP) 2015-01-22 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-20150025157-A1 NOVEL SUGAR-DERIVED GELATOR UGGT1, GCK, B3GAT3 CYP4A11 1938/4885CYP4F2 2380/4885ACHE 3906/4885

“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.