SCHEMBL2394889

SCHEMBL2394889

O=C(O)C=Cc1ccc(C(F)(F)F)cc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.62
PTGER2 P43116 5/20 0.62
PTGER3 P43115 5/20 0.62
PTGER1 P34995 4/20 0.62
RXRA P19793 2/20 0.55
RXRB P28702 2/20 0.55
RXRG P48443 2/20 0.55
HDAC8 Q9BY41 1/20 0.52
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2B P41595 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
BACE1 P56817 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
LRRK2 Q5S007 1/20 0.47
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47

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
SCHEMBL2394885 1.00 PTGER4 (0.62) PTGER4PTGER2PTGER3PTGER1RXRA
SCHEMBL5113088 0.83 LIPE (0.54) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL5113072 0.83 LIPE (0.54) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL956655 0.83 CYP1A1 (0.55) KDM4ELMNAALDH1A1
SCHEMBL956654 0.83 CYP1A1 (0.55) KDM4ELMNAALDH1A1
SCHEMBL3207292 0.83 PTGER4 (0.70) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL3207282 0.83 PTGER4 (0.70) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL537542 0.83 POLB (0.54) RXRARXRBRXRGHTR2CSLC6A4
SCHEMBL7909151 0.82 PTGER3 (0.68) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL7191225 0.82 PTGER3 (0.68) PTGER4PTGER2PTGER3PTGER1HDAC8

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-1765768-B1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2013-11-06 EP disclosed
US-8022248-B2 3-[2-(3-Cyanophenoxy)-4-(trifluoromethyl)phenyl]propanoic acid;prostaglandin D2 inhibitor, orphan receptor CRTH2 antagonist; antiinflammatory, analgesic, antipyretic; respiratory system disorders: asthma and rhinitis; coupling amino/thio-phenyl derivatives with ester followed by hydrolysis to acid ASTRAZENECA AB (SE) 2011-09-20 US disclosed
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-05-15 US disclosed
EP-1765768-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006005909-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-01-19 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 (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-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases HRH2, HRH1, HRH4 PTGER4 250/4885PTGER2 138/4885PTGER3 183/4885

“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.