SCHEMBL22160247

SCHEMBL22160247

COc1ccc(COc2cc(C(=O)O)ccc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NPC1 O15118 1/20 0.68
POLB P06746 1/20 0.68
MRGPRX4 Q96LA9 3/20 0.61
PLA2G4B P0C869 1/20 0.60
TP53 P04637 1/20 0.58
PKM P14618 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
RXRA P19793 2/20 0.57
PPARA Q07869 2/20 0.54
FOLH1 Q04609 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
RXRB P28702 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL29556803 0.90 MRGPRX4 (0.71) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL7469360 0.90 MRGPRX4 (0.71) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL9360159 0.89 MRGPRX4 (0.78) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL28336349 0.89 MRGPRX4 (0.69) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL7943998 0.87 FOLH1 (0.57) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL2634130 0.85 NR4A2 (0.63) RAB9ASMN1; SMN2NPC1MRGPRX4PLA2G4B
SCHEMBL23692893 0.84 RAB9A (0.67) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL7900610 0.84 RAB9A (0.58) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL12968385 0.84 RAB9A (0.67) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL29032420 0.84 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2NPC1POLBMRGPRX4

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-20200207744-A1 DIMER COMPOUNDS, AND USE IN BINDING TOXIC REPEATS OF RNA EXPANSION THERAPEUTICS, INC. 2020-07-02 US disclosed
US-20200207744-A1 DIMER COMPOUNDS, AND USE IN BINDING TOXIC REPEATS OF RNA EXPANSION THERAPEUTICS, INC. 2020-07-02 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-20200207744-A1 DIMER COMPOUNDS, AND USE IN BINDING TOXIC REPEATS OF RNA HNRNPH1, HNRNPUL2, HNRNPH3 RAB9A 2880/4885SMN1; SMN2 32/4885NPC1 2794/4885

“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.