SCHEMBL2394989

SCHEMBL2394989

C/C(=C\c1ccc(Cl)cc1O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ERN1 O75460 1/20 0.42
APEX1 P27695 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL2394991 1.00 AKR1C3 (0.43) AKR1C3CA1CA2ERN1APEX1
SCHEMBL7822855 0.84 GABRA1 (0.56) AKR1C3APEX1TDP1ALDH1A1TSHR
SCHEMBL7822858 0.84 GABRA1 (0.56) AKR1C3APEX1TDP1ALDH1A1TSHR
SCHEMBL7880143 0.81 ABL1 (0.42) AKR1C3APEX1TDP1ALDH1A1CYP3A4
SCHEMBL7880140 0.81 ABL1 (0.42) AKR1C3APEX1TDP1ALDH1A1CYP3A4
SCHEMBL24176985 0.79 AKR1C3 (0.43) AKR1C3CA1CA2APEX1ALDH1A1
SCHEMBL1786006 0.79 AKR1C3 (0.43) AKR1C3APEX1
SCHEMBL1786005 0.79 AKR1C3 (0.43) AKR1C3APEX1
SCHEMBL9358828 0.77 TRIM24 (0.60) ERN1APEX1ALDH1A1CYP3A4
SCHEMBL1745376 0.76 TTR (0.53) AKR1C3APEX1HSD17B10GABRA1GABRG2

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 AKR1C3 257/4885CA1 3310/4885CA2 872/4885

“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.