SCHEMBL5115860

SCHEMBL5115860

CC(=O)c1cccc(O)c1OCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.43
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
THRB P10828 1/20 0.38
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NR1H4 Q96RI1 2/20 0.37
DRD2 P14416 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PDE4D Q08499 1/20 0.36
MAOB P27338 2/20 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
SCHEMBL31533374 0.82 PARP15 (0.41) CXCR5PARP15PARP10PARP2NFKB1
SCHEMBL4516687 0.76 MAOB (0.55) PARP15PARP10PARP2THRBNFKB1
SCHEMBL20207588 0.76 RIPK1 (0.43) CXCR5PARP15PARP10PARP2KDM4E
SCHEMBL5033170 0.75 PDE4D (0.47) PDE4D
SCHEMBL18374066 0.75 RIPK1 (0.42) PARP15PARP10PARP2KDM4EALDH1A1
SCHEMBL126718 0.74 PARP15 (0.36) CXCR5PARP15PARP10PARP2NFKB1
SCHEMBL20342786 0.73 CA1 (0.52) THRBDRD2KDM4EALDH1A1LMNA
SCHEMBL716744 0.73 MAOB (0.55) PARP15PARP10PARP2ACACBACACA
SCHEMBL20207066 0.72 RIPK1 (0.40) CXCR5PARP15PARP10PARP2NFKB1
SCHEMBL3398683 0.70 THRA (0.45) CXCR5PARP15PARP10PARP2THRB

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-7375103-B2 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2008-05-20 US disclosed
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2005-09-29 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-20050215547-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL1A CXCR5 906/4885PARP15 1357/4885PARP10 1280/4885

“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.