SCHEMBL3316384

SCHEMBL3316384

C=CCN(C)CCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LSS P48449 11/20 0.35
LTA4H P09960 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PYCR1 P32322 1/20 0.32
FAAH O00519 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 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
SCHEMBL3207997 0.81 LSS (0.39) ALDH1A1LSSMEN1KMT2A
SCHEMBL10256965 0.79 KMT2A (0.48) ALDH1A1LTA4HMEN1KMT2AFAAH
Hydrochloric Acid SCHEMBL27738298 0.79 MEN1 (0.42) ALDH1A1LSSMEN1KMT2A
SCHEMBL9663210 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2A
Acrylamide SCHEMBL28130764 0.76 ALDH1A1 (0.42) ALDH1A1LSSPYCR1
Acrylamide SCHEMBL28273458 0.76 ALDH1A1 (0.52) ALDH1A1LSSPYCR1
SCHEMBL5618693 0.75 ALDH1A1 (0.38) ALDH1A1
Acrylamide SCHEMBL28075507 0.74 ALDH1A1 (0.50) ALDH1A1LSSPYCR1
SCHEMBL27095807 0.74 PYCR1 (0.41) LSSPYCR1
SCHEMBL7866824 0.73 ABCC4 (0.45) ALDH1A1LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 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-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD ALDH1A1 474/4885LSS 1914/4885LTA4H 3282/4885

“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.