SCHEMBL2394992

SCHEMBL2394992

Nc1ccc(Cl)cc1Oc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.45
SLC6A4 P31645 7/20 0.45
KCNH2 Q12809 7/20 0.45
MAPT P10636 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
AR P10275 3/20 0.40
EPAS1 Q99814 2/20 0.40
CYP3A4 P08684 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10769469 0.83 NR4A1 (0.44) HTR2ASLC6A4KCNH2ALDH1A1AR
SCHEMBL29682000 0.77 MAPT (0.69) HTR2ASLC6A4KCNH2MAPTCYP1A2
SCHEMBL1242454 0.77 MAPT (0.51) HTR2ASLC6A4KCNH2MAPTCYP1A2
SCHEMBL3559370 0.76 MAOA (0.50) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL4877093 0.76 DDR1 (0.48) HTR2ASLC6A4KCNH2MAPTAR
Hydrochloric Acid SCHEMBL11440177 0.75 MAOA (0.48) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL2551468 0.74 MAPT (0.56) HTR2ASLC6A4KCNH2MAPTCYP1A2
SCHEMBL11522510 0.74 MAOA (0.61) HTR2ASLC6A4KCNH2MAPTCYP1A2
SCHEMBL5903416 0.73 AR (0.60) HTR2ASLC6A4KCNH2MAPTCYP1A2
SCHEMBL38659445 0.73 AR (0.60) HTR2ASLC6A4KCNH2MAPTCYP1A2

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 HTR2A 298/4885SLC6A4 1675/4885KCNH2 1535/4885

“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.