SCHEMBL3103428

SCHEMBL3103428

O=C1CCC(COc2cccc(O)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.56
CHRNA3 P32297 4/20 0.56
CHRNB2 P17787 3/20 0.51
CHRNA4 P43681 3/20 0.51
KDM1A O60341 1/20 0.46
FFAR1 O14842 1/20 0.44
CNR2 P34972 1/20 0.44
CNR1 P21554 1/20 0.44
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
POLB P06746 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
APP P05067 1/20 0.42

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
SCHEMBL17534232 0.87 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4KDM1A
SCHEMBL29639202 0.87 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4KDM1A
SCHEMBL16902845 0.87 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4KDM1A
SCHEMBL22816951 0.84 CHRNB4 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL27996245 0.83 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL12918790 0.82 GRM2 (0.47) TLR4TLR2PARP15PARP10
SCHEMBL12952746 0.81 NR1H4 (0.64) NR1H4POLB
SCHEMBL13096985 0.81 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4KDM1A
SCHEMBL5525582 0.80 CARM1 (0.48) PARP15PARP10
SCHEMBL3098610 0.80 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4KDM1A

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 8 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-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
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
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 CHRNB4 2379/4885CHRNA3 1986/4885CHRNB2 3048/4885

“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.