SCHEMBL3103203

SCHEMBL3103203

CCOC(=O)CCCCc1ccc2c(c1)OCCO2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.54
MGLL Q99685 1/20 0.54
TP53 P04637 2/20 0.52
NPC1 O15118 1/20 0.52
GLA P06280 1/20 0.52
RAB9A P51151 1/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
TRPV1 Q8NER1 2/20 0.48
CYP4Z1 Q86W10 1/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL10956809 0.91 NPC1 (0.55) TP53NPC1GLARAB9AMAPT
SCHEMBL3186208 0.82 CYP3A4 (0.58) FAAHMGLLNPC1RAB9AHDAC1
SCHEMBL4140012 0.82 RAB9A (0.58) TP53NPC1GLARAB9AMAPT
SCHEMBL6136514 0.80 NPC1 (0.53) TP53NPC1GLARAB9AMAPT
SCHEMBL9671800 0.78 CYP4Z1 (0.65) FAAHMGLLCYP4Z1ALDH1A1CYP4F2
SCHEMBL8692757 0.78 CYP3A4 (0.53) FAAHMGLLNPC1RAB9AHDAC1
SCHEMBL29374812 0.77 FAAH (0.61) FAAHMGLLTP53NPC1RAB9A
SCHEMBL12414100 0.77 FAAH (0.61) FAAHMGLLTP53NPC1RAB9A
SCHEMBL28503964 0.77 HDAC1 (0.62) FAAHMGLLHDAC1HDAC3HDAC2
SCHEMBL17084609 0.77 HDAC1 (0.70) FAAHMGLLHDAC1HDAC3HDAC2

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 9 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
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
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 FAAH 890/4885MGLL 393/4885TP53 3864/4885

“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.