SCHEMBL3498170

SCHEMBL3498170

CC(C)(C)OC(=O)c1cccc(COc2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
PKM P14618 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
RAB9A P51151 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
SLC7A5 Q01650 1/20 0.53
NR1H2 P55055 4/20 0.53
NR1H3 Q13133 4/20 0.53
RXRA P19793 2/20 0.53
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
PTPRC P08575 1/20 0.48
PTPN1 P18031 1/20 0.48

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
SCHEMBL3500927 0.88 MRGPRX4 (0.59) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL1000232 0.86 SLC7A5 (0.64) SLC7A5NR1H2NR1H3RXRA
SCHEMBL864218 0.82 MRGPRX4 (0.54) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL14539208 0.81 PTPRC (0.64) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6779534 0.79 MAOB (0.65) SMN1; SMN2RAB9ARXRAALDH1A1LMNA
SCHEMBL16564331 0.77 FFAR1 (0.56) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL1000794 0.77 NR1H4 (0.49) SLC7A5NR1H2NR1H3RXRAALDH1A1
SCHEMBL4760103 0.77 MAOB (0.67) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL3499100 0.77 NR1H2 (0.65) NR1H2NR1H3RXRA
SCHEMBL10260159 0.76 MRGPRX4 (0.55) MRGPRX4SMN1; SMN2TP53PKMNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 MRGPRX4 48/4885SMN1; SMN2 4779/4885TP53 2909/4885

“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.