SCHEMBL3604619

SCHEMBL3604619

COCOCC1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.51
PREP P48147 5/20 0.50
ABHD6 Q9BV23 1/20 0.48
DAGLA Q9Y4D2 1/20 0.48
TMEM97 Q5BJF2 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ACE2 Q9BYF1 1/20 0.47
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL4977446 0.97 PREP (0.53) PREPNPSR1ACE2ALDH1A1
SCHEMBL791439 0.87 PREP (0.57) PREPNPSR1ACE2ALDH1A1
SCHEMBL13994810 0.87 PREP (0.57) PREPNPSR1ACE2ALDH1A1
SCHEMBL30872568 0.85 ABHD6 (0.49) FKBP1APREPABHD6DAGLATMEM97
SCHEMBL8303315 0.85 CTSK (0.52) FKBP1APREPTMEM97SIGMAR1ACE2
SCHEMBL3354292 0.84 PREP (0.54) FKBP1APREPTMEM97SIGMAR1NPSR1
SCHEMBL13567881 0.83 PREP (0.52) FKBP1APREPNPSR1ACE2ALDH1A1
SCHEMBL13198885 0.83 NPC1 (0.60) FKBP1APREPTMEM97SIGMAR1ACE2
SCHEMBL14646609 0.83 NPC1 (0.60) FKBP1APREPTMEM97SIGMAR1ACE2
SCHEMBL10899658 0.82 PREP (0.51) PREPNPSR1ACE2

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
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 FKBP1A 1634/4885PREP 4275/4885ABHD6 3561/4885

“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.