SCHEMBL3138196

SCHEMBL3138196

COC(=O)CCc1ccc(Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
MAPT P10636 6/20 0.49
NPC1 O15118 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
RAB9A P51151 2/20 0.48
TNF P01375 1/20 0.48
NOD1 Q9Y239 1/20 0.48
GFER P55789 1/20 0.48
RAF1 P04049 1/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
MAPK1 P28482 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
BMP1 P13497 1/20 0.47
KDR P35968 4/20 0.47
MAPK14 Q16539 2/20 0.47

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
SCHEMBL5170048 0.91 MAPT (0.55) LMNAMAPTNPC1L3MBTL1RAB9A
SCHEMBL3352973 0.81 GAA (0.67) MAPTNPC1L3MBTL1RAB9ATNF
SCHEMBL4084235 0.78 MAPT (0.75) LMNAMAPTNPC1RAB9ARAF1
SCHEMBL3133051 0.77 RAB9A (0.62) LMNAMAPTNPC1L3MBTL1RAB9A
SCHEMBL12465047 0.77 MCHR1 (0.57) MAPTMEN1KMT2AALDH1A1
SCHEMBL853787 0.76 FFAR1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL3138983 0.76 RAB9A (0.67) LMNAMAPTNPC1L3MBTL1RAB9A
SCHEMBL1747053 0.76 FFAR1 (0.53) LMNAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL3142668 0.75 RAB9A (0.66) LMNAMAPTNPC1L3MBTL1RAB9A
SCHEMBL3137929 0.75 IDH1 (0.46) LMNAPLAAT3PLAAT5PLAAT2PLAAT4

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-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 LMNA 2721/4885MAPT 4315/4885NPC1 1029/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 LMNA 4340/4885MAPT 4866/4885NPC1 1397/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 LMNA 1091/4885MAPT 4163/4885NPC1 2588/4885

“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.