SCHEMBL4797264

SCHEMBL4797264

CC(=O)c1ccc(C(C)N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 2/20 0.50
ADRB2 P07550 1/20 0.48
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 3/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B1 P14061 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM8 O00222 1/20 0.44
GRM4 Q14833 1/20 0.44
NPC1 O15118 1/20 0.44
STS P08842 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
Acetophenone SCHEMBL19028023 0.85 MAPT (0.50) MAPTHPGDLMNAL3MBTL1SMN1; SMN2
SCHEMBL22014063 0.84 NOS3 (0.48) NOS3NOS1MAPTHPGDLMNA
SCHEMBL28953743 0.84 ROCK2 (0.51) ROCK2ROCK1ADRB2MAPTHPGD
SCHEMBL1744124 0.83 MAPT (0.59) MAPTHPGDRAB9ASMN1; SMN2NPSR1
SCHEMBL3783150 0.82 PARP10 (0.53) ROCK2ROCK1ADRB2NOS1MAPT
SCHEMBL2129856 0.82 ANPEP (0.57) ROCK2ROCK1ADRB2HPGDKMT2A
SCHEMBL8254658 0.82 PARP10 (0.53) ROCK2ROCK1ADRB2NOS1MAPT
SCHEMBL4448319 0.82 ANPEP (0.57) ROCK2ROCK1ADRB2HPGDKMT2A
SCHEMBL12052082 0.82 PARP10 (0.53) ROCK2ROCK1ADRB2NOS1MAPT
SCHEMBL4878931 0.82 ANPEP (0.57) ROCK2ROCK1ADRB2HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321055-B2 Production method of optically active dephenylalanine compounds AJINOMOTO CO., INC. (JP) 2008-01-22 US claimed
US-20070032658-A1 Production method of optically active dephenylalanine compounds AJINOMOTO CO., INC. (JP) 2007-02-08 US claimed
EP-1749816-A1 Production method of optically active diphenylalanine compounds Ajinomoto Co., Ltd. (JP) 2007-02-07 EP claimed
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
US-7321055-B2 Production method of optically active dephenylalanine compounds AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
US-20070032658-A1 Production method of optically active dephenylalanine compounds AJINOMOTO CO., INC. (JP) 2007-02-08 US disclosed
EP-1749816-A1 Production method of optically active diphenylalanine compounds Ajinomoto Co., Ltd. (JP) 2007-02-07 EP 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-20070032658-A1 Production method of optically active dephenylalanine compounds TYR, PAH, DDC ROCK2 2004/4885ROCK1 1306/4885ADRB2 1338/4885
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN ENY2, ENO1, IDH1 ROCK2 2210/4885ROCK1 3602/4885ADRB2 1146/4885

“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.