SCHEMBL6314796

SCHEMBL6314796

[CH2]Cn1ccc(C(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
PTGER1 P34995 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
PLA2G4A P47712 1/20 0.39
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL26057095 0.82 SMN1; SMN2 (0.53) SMN1; SMN2PTGER1KDM4CPLA2G4AALDH1A1
SCHEMBL31373301 0.80 KDM4C (0.58) SMN1; SMN2PTGER1KDM4CPLA2G4AALDH1A1
SCHEMBL932824 0.80 ALDH1A1 (0.55) SMN1; SMN2KDM4CPLA2G4AALDH1A1KMT2A
SCHEMBL31373302 0.80 KDM4C (0.58) SMN1; SMN2PTGER1KDM4CPLA2G4AALDH1A1
SCHEMBL29625285 0.80 SMN1; SMN2 (0.55) SMN1; SMN2PTGER1KDM4CPLA2G4AALDH1A1
SCHEMBL28040263 0.79 SMN1; SMN2 (0.48) SMN1; SMN2PTGER1KDM4CPLA2G4AALDH1A1
SCHEMBL15202347 0.78 SMN1; SMN2 (0.50) SMN1; SMN2PTGER1KDM4CPLA2G4AALDH1A1
SCHEMBL167425 0.77 SMN1; SMN2 (0.49) SMN1; SMN2PTGER1KDM4CPLA2G4AALDH1A1
SCHEMBL1431755 0.77 SMN1; SMN2 (0.49) SMN1; SMN2PTGER1KDM4CPLA2G4AALDH1A1
SCHEMBL6877868 0.76 SMN1; SMN2 (0.48) SMN1; SMN2PTGER1KDM4CPLA2G4AALDH1A1

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-20050090522-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2005-04-28 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-20050090522-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 SMN1; SMN2 4726/4885PTGER1 2184/4885KDM4C 1004/4885

“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.