SCHEMBL4659439

SCHEMBL4659439

CC[C@H](NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 2/20 0.67
HPGD P15428 2/20 0.67
TSHR P16473 1/20 0.67
HSD17B10 Q99714 1/20 0.67
SLC6A9 P48067 1/20 0.59
PPARG P37231 1/20 0.59
GAA P10253 1/20 0.58
KCNA5 P22460 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
RAB9A P51151 1/20 0.57
TAOK1 Q7L7X3 1/20 0.56
TAOK3 Q9H2K8 1/20 0.56
UTS2R Q9UKP6 1/20 0.54
TACR3 P29371 1/20 0.53
EPHX2 P34913 2/20 0.52
MAPK13 O15264 1/20 0.52
ROCK2 O75116 1/20 0.52

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
SCHEMBL4660820 1.00 KDM4E (0.67) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL5642916 1.00 KDM4E (0.67) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13947402 0.90 LMNA (0.60) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL6607705 0.86 UTS2R (0.58) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL6572543 0.84 ALDH1A1 (0.50) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL3103847 0.84 ROCK2 (0.78) PPARGTAOK1TAOK3MAPK13ROCK2
SCHEMBL9848822 0.84 ROCK2 (0.70) KDM4ELMNAHPGDGAAMEN1
SCHEMBL9293287 0.84 ROCK2 (0.70) KDM4ELMNAHPGDGAAMEN1
SCHEMBL2777735 0.84 ROCK2 (0.70) KDM4ELMNAHPGDGAAMEN1
SCHEMBL6602494 0.83 UTS2R (0.60) KDM4EALDH1A1TSHRGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1279660-B1 Process for producing an optically active amide from an alpha, beta-unsaturated amide derivative in the presence of an optically active transition metal complex containing a phosphine-phosphorane compound and rhodium TAKASAGO PERFUMERY CO LTD (JP) 2008-12-17 EP disclosed
US-6855847-B2 Process for producing optically active amide from α β- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-02-15 US disclosed
US-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal TAKASAGO INTERNATIONAL CORPORATION 2003-06-26 US disclosed
EP-1279660-A1 Process for producing an optically active amide from an alpha, beta-unsaturated amide derivative in the presence of a transition metal complex containing a phosphine-phosphorane compound and a transition metal Takasago International Corporation (JP) 2003-01-29 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 (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-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal PHOSPHO1, NAAA, DEGS1 KDM4E 4438/4885ALDH1A1 1510/4885LMNA 3730/4885

“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.