SCHEMBL3632067

SCHEMBL3632067

C=C(C)Cc1cc(C(=O)OC)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA12 O43570 3/20 0.57
CA7 P43166 3/20 0.57
CA9 Q16790 3/20 0.57
CA14 Q9ULX7 3/20 0.57
XDH P47989 2/20 0.57
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 3/20 0.51
TP53 P04637 2/20 0.51
ALOX15 P16050 2/20 0.51
ALOX12 P18054 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL4235293 0.88 CA1 (0.57) CA1CA2CA12CA7CA9
SCHEMBL10907964 0.85 ALDH1A1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL2818582 0.85 CA12 (0.62) CA1CA2CA12CA7CA9
SCHEMBL15947258 0.84 CA12 (0.45) CA1CA2CA12CA7CA9
SCHEMBL8025321 0.83 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL8683623 0.82 POLB (0.50) CA1CA2CA12CA7CA9
SCHEMBL8230251 0.82 CA1 (0.67) CA1CA2CA12CA7CA9
SCHEMBL2772279 0.80 PKM (0.66) CA1CA2CA12CA7CA9
SCHEMBL7522545 0.79 CA1 (0.62) CA1CA2CA12CA7CA9
SCHEMBL2774960 0.79 CA1 (0.62) CA1CA2CA12CA7CA9

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 CA1 3792/4885CA2 1886/4885CA12 3891/4885

“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.