SCHEMBL3096144

SCHEMBL3096144

OC1(CCc2ccc(OCc3ccccc3)cc2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
EPHX2 P34913 1/20 0.55
FFAR1 O14842 5/20 0.54
FFAR4 Q5NUL3 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
BCHE P06276 3/20 0.49
MAOB P27338 1/20 0.47
MMP12 P39900 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47

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
SCHEMBL3106679 0.97 LTA4H (0.55) LTA4HEPHX2FFAR1FFAR4HRH3
SCHEMBL4204848 0.84 OPRM1 (0.60) SLC6A3MAOBOPRM1OPRL1
SCHEMBL13097334 0.81 CYSLTR2 (0.40) LTA4HEPHX2FFAR1FFAR4HRH3
SCHEMBL17493640 0.79 OPRM1 (0.58) MAOBOPRM1OPRL1
SCHEMBL4989701 0.79 OPRM1 (0.58) MAOBOPRM1OPRL1
SCHEMBL3099594 0.79 CYSLTR2 (0.42) LTA4HEPHX2FFAR1FFAR4HRH3
Hydrochloric Acid SCHEMBL27651798 0.78 FFAR1 (0.47) LTA4HEPHX2FFAR1FFAR4HRH3
Hydrochloric Acid SCHEMBL27656058 0.77 OPRM1 (0.59) MAOBOPRM1OPRL1
SCHEMBL13097248 0.77 MAOB (0.51) BCHEMAOB
SCHEMBL16553890 0.77 LMNA (0.56) LTA4HEPHX2HRH3LMNACYP1A2

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 4 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-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
CN-101801933-A quinolone derivative ASTELLAS PHARMA INC 2010-08-11 CN 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 LTA4H 421/4885EPHX2 640/4885FFAR1 1105/4885

“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.