SCHEMBL4510057

SCHEMBL4510057

O=C(O)CCOCCOCCc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
FFAR4 Q5NUL3 1/20 0.54
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 1/20 0.52
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CDYL Q9Y232 1/20 0.47
S1PR5 Q9H228 1/20 0.47
MTNR1A P48039 2/20 0.47
CMA1 P23946 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MCL1 Q07820 2/20 0.44
CTNNB1 P35222 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1180264 0.98 TDP1 (0.56) TDP1FFAR4FFAR1AKR1B1CYP1A2
Naphthalene SCHEMBL1848110 0.92 FFAR4 (0.50) TDP1FFAR4FFAR1AKR1B1CYP1A2
SCHEMBL1820018 0.86 FFAR4 (0.46) TDP1FFAR4FFAR1AKR1B1CYP1A2
SCHEMBL4564283 0.85 MTNR1A (0.54) TDP1FFAR4FFAR1AKR1B1KDM4E
SCHEMBL48684 0.84 TDP1 (0.57) TDP1FFAR4FFAR1AKR1B1CYP1A2
SCHEMBL7791197 0.84 FFAR4 (0.48) TDP1FFAR4FFAR1AKR1B1CYP1A2
SCHEMBL586305 0.83 CYP1A2 (0.52) TDP1AKR1B1CYP1A2CDYLMTNR1A
SCHEMBL1218835 0.82 TDP1 (0.67) TDP1FFAR4FFAR1AKR1B1CYP1A2
SCHEMBL30307853 0.82 TDP1 (0.67) TDP1FFAR4FFAR1AKR1B1CYP1A2
Hydrochloric Acid SCHEMBL11319694 0.80 TDP1 (0.65) TDP1FFAR4FFAR1AKR1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 US 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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C TDP1 4235/4885FFAR4 313/4885FFAR1 362/4885

“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.