SCHEMBL1714808

SCHEMBL1714808

O=Cc1cc(C(F)(F)F)ccc1OC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
PDE4B Q07343 2/20 0.36
PTPN1 P18031 3/20 0.36
PIM1 P11309 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL22946146 0.84 PTPN1 (0.36) TSHRPTGDR2PDE4BPTPN1PIM1
SCHEMBL5319268 0.83 TSHR (0.34) TSHRPTGDR2PDE4BPTPN1MEN1
SCHEMBL21305297 0.82 PTGDR2 (0.42) PTGDR2PDE4BPTPN1SMN1; SMN2
SCHEMBL22946143 0.80 TSHR (0.41) TSHRPTGDR2PDE4BPTPN1MEN1
SCHEMBL7175438 0.80 PTGDR2 (0.39) TSHRPTGDR2PDE4BMEN1KMT2A
SCHEMBL6788039 0.80 TSHR (0.38) TSHRPTGDR2PDE4BPIM1MEN1
SCHEMBL5330768 0.80 MRGPRX4 (0.43) TSHRPTGDR2MRGPRX4
SCHEMBL23886934 0.80 TSHR (0.38) TSHRPTGDR2PDE4BPTPN1PIM1
SCHEMBL7181844 0.80 TSHR (0.38) TSHRPTGDR2PDE4BPTPN1PIM1
SCHEMBL15271652 0.79 TACR1 (0.36) TSHRPTGDR2PTPN1PIM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524715-B2 Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2013-09-03 US disclosed
EP-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP disclosed
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases ASTRAZENECA AB (SE) 2009-06-11 US disclosed
EP-1857440-A1 Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same Amorepacific Corporation (KR) 2007-11-21 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-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases PAOX, PCCA, PAH TSHR 1896/4885PTGDR2 236/4885PDE4B 1014/4885

“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.