SCHEMBL3625937

SCHEMBL3625937

CCOCCOc1ccc(-c2cc(CNc3ccc(CCC(=O)OC)cc3)ccc2OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
FFAR1 O14842 12/20 0.46
C5AR1 P21730 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
FFAR4 Q5NUL3 5/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
F7 P08709 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.41
TP53 P04637 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
SCHEMBL3622880 0.93 FFAR1 (0.54) MAPTPOLBTHRBFFAR1FFAR4
SCHEMBL3632835 0.90 FFAR1 (0.47) MAPTFFAR1ALDH1A1FFAR4TDP1
SCHEMBL3630888 0.86 FFAR1 (0.41) FFAR1FFAR4
SCHEMBL3630667 0.84 FFAR1 (0.56) FFAR1FFAR4TDP1LMNAGNA15
SCHEMBL3633032 0.80 FFAR1 (0.48) FFAR1FFAR4TDP1LMNAGNA15
SCHEMBL3624693 0.79 C5AR1 (0.45) FFAR1C5AR1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3629085 0.78 RAB9A (0.51) MAPTFFAR1C5AR1SMN1; SMN2ALDH1A1
SCHEMBL3630801 0.77 PTPN1 (0.40) MAPTPOLBFFAR1ALDH1A1MEN1
SCHEMBL3625971 0.77 FFAR1 (0.67) FFAR1FFAR4
SCHEMBL7734877 0.76 BCHE (0.50) FFAR1C5AR1FFAR4

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 MAPT 3293/4885POLB 4711/4885THRB 1145/4885

“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.