SCHEMBL13097124

SCHEMBL13097124

O=C(C1CCOCC1)N1CCC(O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.45
PIK3CD O00329 1/20 0.45
GPR183 P32249 1/20 0.44
KCNH2 Q12809 1/20 0.44
PKM P14618 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
EPHX2 P34913 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL322262 0.89 PIK3CD (0.46) RECQLTSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL322261 0.89 PIK3CD (0.46) RECQLTSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL15052678 0.89 PIK3CD (0.46) RECQLTSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL8314644 0.85 HPGD (0.62) TSHRSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL3087287 0.84 TSHR (0.57) RECQLTSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL3087285 0.84 TSHR (0.57) RECQLTSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL18415359 0.83 HPGD (0.68) RECQLTSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL14115754 0.82 RECQL (0.47) RECQLTSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL15431599 0.82 TSHR (0.51) RECQLTSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL1911828 0.82 HPGD (0.72) RECQLTSHRSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK RECQL 896/4885TSHR 4536/4885SMN1; SMN2 4848/4885

“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.