SCHEMBL3633083

SCHEMBL3633083

CCOCCSc1cc(C)c(-c2cccc(C=O)c2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FFAR1 O14842 9/20 0.36
ALOX15 P16050 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL1099011 0.82 FFAR1 (0.53) BRD4FFAR1MAOAMAOB
SCHEMBL3629638 0.78 FFAR1 (0.43) FFAR1
SCHEMBL3631132 0.78 ALDH1A1 (0.42) BRD4ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL3631828 0.74 BRD4 (0.42) BRD4ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL12578309 0.74 BRD4 (0.42) BRD4ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL1974835 0.74 BRD4 (0.55) BRD4ALDH1A1FFAR1MAOAMAOB
SCHEMBL1745297 0.74 BRD4 (0.58) BRD4ALDH1A1FFAR1MAOAMAOB
SCHEMBL205804 0.71 BRD4 (0.53) BRD4ALDH1A1FFAR1MAOAMAOB
SCHEMBL12641011 0.71 BRD4 (0.44) BRD4TDP1FFAR1MAOAMAOB
SCHEMBL3631924 0.71 BRD4 (0.41) BRD4TDP1FFAR1MAOAMAOB

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-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 BRD4 2707/4885ALDH1A1 495/4885HPGD 2123/4885

“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.