SCHEMBL3624693

SCHEMBL3624693

CCOCCOc1ccc(-c2cc(CO)ccc2OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.45
GSTP1 P09211 2/20 0.45
FFAR1 O14842 2/20 0.45
MGAM O43451 3/20 0.41
GAA P10253 3/20 0.41
SI P14410 3/20 0.41
MGAM2 Q2M2H8 3/20 0.41
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PTGER1 P34995 1/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
PTPN1 P18031 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL3629085 0.83 RAB9A (0.51) C5AR1FFAR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3629864 0.81 ACACB (0.41) FFAR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3622880 0.80 FFAR1 (0.54) FFAR1FFAR4
SCHEMBL3625937 0.79 MAPT (0.49) C5AR1FFAR1GAAALDH1A1RAB9A
SCHEMBL10693614 0.78 CHRNA7 (0.54) GSTP1FFAR1GAAALDH1A1RAB9A
SCHEMBL321345 0.78 CHRNA7 (0.59) GAAALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL7218058 0.75 MEN1 (0.51) ALDH1A1SMN1; SMN2LMNALTA4H
SCHEMBL18437018 0.74 GSTP1 (0.64) C5AR1GSTP1MGAMGAASI
SCHEMBL4162422 0.74 LTA4H (0.52) FFAR1ALDH1A1LMNAFFAR4LTA4H
SCHEMBL6035606 0.73 MEN1 (0.60) GAAALDH1A1RAB9ASMN1; SMN2LMNA

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 C5AR1 660/4885GSTP1 1626/4885FFAR1 5/4885

“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.