SCHEMBL3500927

SCHEMBL3500927

COC(=O)Cc1ccc(OCc2cccc(C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.59
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
TP53 P04637 4/20 0.52
PKM P14618 2/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SLC7A5 Q01650 1/20 0.48
HTT P42858 2/20 0.46

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
SCHEMBL3498170 0.88 MRGPRX4 (0.55) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL29346854 0.86 SLC7A5 (0.58) MRGPRX4RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL31068535 0.86 SLC7A5 (0.58) MRGPRX4RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5271801 0.84 MRGPRX4 (0.73) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL14539034 0.84 RAB9A (0.62) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL3500015 0.82 MRGPRX4 (0.49) MRGPRX4RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL864218 0.81 MRGPRX4 (0.54) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL21221834 0.78 MRGPRX4 (0.64) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL2440071 0.78 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL8586218 0.78 MRGPRX4 (0.60) MRGPRX4RAB9ASMN1; SMN2TP53PKM

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 1 patent. 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

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 48/4885RAB9A 2269/4885SMN1; SMN2 4779/4885

“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.