SCHEMBL1753554

SCHEMBL1753554

COc1ccc(-c2cc(Cl)ccc2OCC(=O)O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.68
TDP1 Q9NUW8 2/20 0.56
TSHR P16473 1/20 0.55
MAPT P10636 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTSA P10619 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL1753406 0.86 PTGDR2 (0.72) PTGDR2TDP1TSHRMAPT
SCHEMBL1753654 0.86 PTGDR2 (0.85) PTGDR2TDP1TSHRMAPT
SCHEMBL1332214 0.84 TDP1 (0.68) PTGDR2TDP1TSHRMAPTPOLB
SCHEMBL12147403 0.82 PTGDR2 (0.83) PTGDR2TDP1TSHRMAPT
SCHEMBL12147097 0.81 PTGDR2 (1.00) PTGDR2TDP1TSHRMAPT
SCHEMBL12146997 0.81 PTGDR2 (0.68) PTGDR2TDP1TSHRMAPTPOLB
SCHEMBL1753773 0.81 PTGDR2 (0.76) PTGDR2TDP1TSHRMAPT
SCHEMBL1990463 0.79 PTGDR2 (0.71) PTGDR2TDP1MAPT
SCHEMBL1753551 0.79 PTGDR2 (0.71) PTGDR2TDP1TSHRMAPT
SCHEMBL12147409 0.79 PTGDR2 (0.69) PTGDR2TDP1TSHRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US claimed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US claimed
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 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 (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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885TDP1 3990/4885TSHR 2760/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885TDP1 3990/4885TSHR 2760/4885

“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.