SCHEMBL10026320

SCHEMBL10026320

CCCC[C@H](C)C(=O)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60
MME P08473 1/20 0.58
ALDH1A1 P00352 2/20 0.57
CYP3A4 P08684 1/20 0.57
KMT2A Q03164 3/20 0.55
EPHX2 P34913 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
SLC1A2 P43004 1/20 0.50
CNR2 P34972 1/20 0.50
CTSK P43235 1/20 0.49

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
SCHEMBL12352667 0.95 LMNA (0.58) MAPTLMNAMAPK1MMEALDH1A1
SCHEMBL22294656 0.95 LMNA (0.58) MAPTLMNAMAPK1MMEALDH1A1
SCHEMBL19152432 0.90 MAPT (0.72) MAPTLMNAMAPK1MMEALDH1A1
SCHEMBL8826260 0.88 MME (0.58) MAPTLMNAMAPK1MMEALDH1A1
SCHEMBL8826267 0.88 MME (0.58) MAPTLMNAMAPK1MMEALDH1A1
SCHEMBL10707753 0.84 MMP8 (0.56) KMT2AEPHX2POLBCNR2CTSK
SCHEMBL10283303 0.83 MME (0.65) MAPTLMNAMAPK1MMEALDH1A1
SCHEMBL10031574 0.83 MME (0.65) MAPTLMNAMAPK1MMEALDH1A1
SCHEMBL1516159 0.83 MME (0.65) MAPTLMNAMAPK1MMEALDH1A1
SCHEMBL7272130 0.83 SPHK1 (0.61) KMT2AEPHX2L3MBTL1POLBCNR2

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
US-8969333-B2 Therapeutic compositions and methods THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-03 US disclosed
US-20140288059-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2014-09-25 US disclosed
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2012-05-03 US disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 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 (2 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-20140288059-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 MAPT 4434/4885LMNA 2958/4885MAPK1 4201/4885
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 MAPT 4434/4885LMNA 2958/4885MAPK1 4201/4885

“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.