SCHEMBL3589930

SCHEMBL3589930

O=C(O)CCOCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.75
FFAR4 Q5NUL3 6/20 0.75
AKR1B1 P15121 1/20 0.59
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LTA4H P09960 1/20 0.55
EPHX2 P34913 1/20 0.55
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54

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
SCHEMBL1744939 0.86 FFAR1 (1.00) FFAR1FFAR4AKR1B1POLBTDP1
Benzyloxyphenylpropanoic Acid SCHEMBL1134648 0.86 FFAR1 (1.00) FFAR1FFAR4AKR1B1POLBTDP1
SCHEMBL3584403 0.86 KEAP1 (0.63) FFAR1FFAR4TDP1
Benzyloxyphenylpropanoic Acid SCHEMBL30117578 0.84 FFAR1 (0.97) FFAR1FFAR4AKR1B1POLBTDP1
SCHEMBL4743351 0.83 LTA4H (0.69) FFAR1FFAR4LTA4HEPHX2
SCHEMBL7905578 0.83 FFAR1 (0.82) FFAR1FFAR4AKR1B1LTA4HEPHX2
SCHEMBL13225831 0.83 FFAR1 (0.56) FFAR1FFAR4LTA4HEPHX2
SCHEMBL1747433 0.82 FFAR1 (0.94) FFAR1FFAR4AKR1B1POLBTDP1
SCHEMBL14305723 0.82 FFAR1 (0.91) FFAR1FFAR4AKR1B1POLBTDP1
SCHEMBL28441593 0.82 FFAR1 (0.79) FFAR1FFAR4AKR1B1LTA4HEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
EP-1915354-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 WO 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 (2 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-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 FFAR1 1540/4885FFAR4 1795/4885AKR1B1 530/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 FFAR1 1540/4885FFAR4 1795/4885AKR1B1 530/4885

“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.