SCHEMBL13698358

SCHEMBL13698358

CCC(=O)N(C)c1ccc(-c2cc(-c3ccc(N(C)C(=O)CC)cc3C)cc(-c3ccc(N(C)C(=O)CC)cc3C)c2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 1/20 0.42
PRKCI P41743 1/20 0.35
PRKCZ Q05513 1/20 0.35
HSD17B1 P14061 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
RARB P10826 1/20 0.33
SYK P43405 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4167912 0.86 ALDH1A1 (0.42) AGPAT2HSD17B1TP53POLBMEN1
SCHEMBL13698356 0.81 ALDH1A1 (0.45) HSD17B1MAPTPOLBKMT2ALMNA
SCHEMBL14426592 0.79 AGPAT2 (0.51) AGPAT2MEN1KMT2ALMNAKDM4E
SCHEMBL21765854 0.76 KMT2A (0.43) AGPAT2MAPTPOLBSYKMEN1
SCHEMBL12157378 0.74 AGPAT2 (0.37) AGPAT2MAPTTP53MEN1KMT2A
SCHEMBL9546363 0.73 ALDH1A1 (0.47) AGPAT2HSD17B1MAPTPOLBMEN1
SCHEMBL9444684 0.73 ALOX15 (0.50) AGPAT2MAPTPOLBMEN1KMT2A
SCHEMBL24011585 0.71 HSD17B1 (0.53) AGPAT2HSD17B1TP53LMNAKDM4E
SCHEMBL15378617 0.71 AGPAT2 (0.50) AGPAT2MAPTKMT2ALMNA
SCHEMBL31425823 0.71 HSD17B1 (0.53) AGPAT2HSD17B1TP53LMNAKDM4E

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-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS AXELSSON OSKAR 2009-09-24 US disclosed
WO-2007064227-A1 MULTIMERIC MAGENTIC RESONANCE CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-06-07 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-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS MAG, MSR1, FABP7 AGPAT2 1071/4885PRKCI 4375/4885PRKCZ 4532/4885

“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.