SCHEMBL2578618

SCHEMBL2578618

CC(C)(C)C(OCC1COCC(=O)N1C(=O)O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.37
KMT2A Q03164 1/20 0.32
RIPK1 Q13546 1/20 0.32
CYP3A4 P08684 1/20 0.31
HIF1A Q16665 1/20 0.31
CTSK P43235 2/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
P2RX7 Q99572 2/20 0.30
MAPT P10636 1/20 0.30
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CASR P41180 1/20 0.30

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
SCHEMBL4516522 0.78 SMYD2 (0.41) AGTR2RIPK1CYP3A4CTSKP2RX7
SCHEMBL4516524 0.78 SMYD2 (0.41) AGTR2RIPK1CYP3A4CTSKP2RX7
SCHEMBL4330114 0.74 LMNA (0.41) AGTR2KMT2ACTSKP2RX7CTSL
SCHEMBL21802089 0.72 FKBP1A (0.35)
SCHEMBL2590322 0.68 SMYD2 (0.40) RIPK1CYP3A4
SCHEMBL2347597 0.68 KLK7 (0.41) L3MBTL1
SCHEMBL2352753 0.68 KLK7 (0.41) L3MBTL1
SCHEMBL1274529 0.64 ALDH1A1 (0.42) RIPK1L3MBTL1
SCHEMBL2348913 0.62 KLK7 (0.42) CTSKCTSLCTSS
SCHEMBL1274502 0.62 RIPK1 (0.46) KMT2ARIPK1

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
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 AGTR2 188/4885KMT2A 2733/4885RIPK1 4239/4885

“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.