SCHEMBL3683791

SCHEMBL3683791

COC(=O)CCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
ALDH1A1 P00352 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPSR1 Q6W5P4 2/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 2/20 0.52
HTT P42858 3/20 0.51
ALOX12 P18054 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GSTP1 P09211 1/20 0.44
GSTM2 P28161 1/20 0.44
IDO1 P14902 1/20 0.43
GAA P10253 1/20 0.42
TBXA2R P21731 1/20 0.42

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
SCHEMBL3680969 0.81 MAPT (0.44) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1644246 0.79 SLC6A2 (0.53) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL13236474 0.79 MAPT (0.78) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30201064 0.76 POLB (0.50) MAPTALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL5416433 0.76 POLB (0.50) MAPTALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL2959825 0.76 MAPT (0.71) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1644381 0.75 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL14565801 0.75 LMNA (0.52) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4850663 0.75 LMNA (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3949693 0.75 ALDH1A1 (0.58) MAPTALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709651-B2 asymmetriccomplex of copper(I) trifluoromethanesulfonate and 1,1-bis[2-[(4S)-(tert-butyl)-oxazoline]]cyclopropane is added to 3-methyl-2-butenyl acetate and ethyl diazoacetate using dichloroethane solvent to effect reaction to produce ethyl 3,3-dimethyl-2-(acetoxymethyl)cyclopropanecarboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-04 US disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
US-20070032659-A1 Process for producing optically active cyclopropane compound and asymmetric copper complex for use in the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-02-08 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1674445-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND AND ASYMMETRIC COPPER COMPLEX FOR USE IN THE SAME Sumitomo Chemical Company, Limited (JP) 2006-06-28 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 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 (4 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 MAPT 4869/4885ALDH1A1 996/4885L3MBTL1 3073/4885
US-20070032659-A1 Process for producing optically active cyclopropane compound and asymmetric copper complex for use in the same CBR3, AOC3, CBR1 MAPT 3703/4885ALDH1A1 185/4885L3MBTL1 4180/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 MAPT 4869/4885ALDH1A1 996/4885L3MBTL1 3073/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 MAPT 4869/4885ALDH1A1 996/4885L3MBTL1 3073/4885

“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.