SCHEMBL678937

SCHEMBL678937

CC(O)CCCC=C1CC(=O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2469054 1.00 ALDH1A1 (0.38) ALDH1A1HTTCYP3A4CYP2C19SMN1; SMN2
SCHEMBL678936 1.00 ALDH1A1 (0.38) ALDH1A1HTTCYP3A4CYP2C19SMN1; SMN2
SCHEMBL7094238 0.76 PRKCA (0.40)
SCHEMBL679076 0.74 ALDH1A1 (0.39) ALDH1A1HTTCYP3A4CYP2C19SMN1; SMN2
SCHEMBL679077 0.74 ALDH1A1 (0.39) ALDH1A1HTTCYP3A4CYP2C19SMN1; SMN2
SCHEMBL12815113 0.70 ALDH1A1 (0.41) ALDH1A1HTTCYP3A4CYP2C19SMN1; SMN2
SCHEMBL21709500 0.66 ALDH1A1 (0.43) ALDH1A1HTTCYP3A4CYP2C19SMN1; SMN2
SCHEMBL31229329 0.66 TSHR (0.50) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2558460 0.63
SCHEMBL746873 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365969-B1 Novel anti-biofilm agents YISSUM RES DEV CO (IL) 2017-03-22 EP disclosed
US-8865909-B2 Anti-biofilm agents YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-10-21 US disclosed
US-20110281921-A1 NOVEL ANTI-BIOFILM AGENTS HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2011-11-17 US disclosed
EP-2365969-A1 Novel anti-biofilm agents Yissum Research Development Company of The Hebrew University of Jerusalem (IL) 2011-09-21 EP disclosed
WO-2010058402-A1 NOVEL ANTI-BIOFILM AGENTS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-05-27 WO 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-20110281921-A1 NOVEL ANTI-BIOFILM AGENTS PYCARD, DNM2, MMP8 ALDH1A1 1605/4885HTT 3403/4885CYP3A4 3522/4885

“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.