SCHEMBL2945768

SCHEMBL2945768

COC(=O)COc1ccc(Cl)cc1Cc1ccccc1OC(C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
PPARG P37231 1/20 0.45
F2 P00734 2/20 0.44
MASP2 O00187 1/20 0.44
PTGDR2 Q9Y5Y4 4/20 0.43
PTGDR Q13258 2/20 0.43
KMT2A Q03164 1/20 0.43
ANO1 Q5XXA6 2/20 0.43
ANO2 Q9NQ90 1/20 0.43
MAPT P10636 2/20 0.43
PTGER1 P34995 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADRB3 P13945 1/20 0.41

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
SCHEMBL4627039 0.89 PTGDR2 (0.52) TSHRF2PTGDR2PTGDRKMT2A
SCHEMBL2947715 0.85 SMN1; SMN2 (0.51) TSHRF2PTGDR2PTGDRKMT2A
SCHEMBL2941974 0.85 SMN1; SMN2 (0.50) TSHRF2PTGDR2PTGDRKMT2A
SCHEMBL2945003 0.84 PTGER1 (0.47) TSHRHTR2AHTR2CHTR2BF2
SCHEMBL13603780 0.82 TSHR (0.68) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL4627361 0.82 PTGDR (0.58) TSHRF2PTGDR2PTGDRMAPT
SCHEMBL2942929 0.81 PTGDR2 (0.49) TSHRF2PTGDR2PTGDRKMT2A
SCHEMBL11069880 0.81 PTGER1 (0.54) TSHRPTGDR2PTGDRKMT2AMAPT
SCHEMBL4626978 0.80 MAPT (0.65) TSHRF2PTGDR2PTGDRMAPT
SCHEMBL1332738 0.79 TSHR (0.59) TSHRHTR2AHTR2CHTR2BPPARG

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
US-7678826-B2 Organic compounds for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-03-16 US disclosed
EP-1891029-B1 ORGANIC COMPOUNDS FOR THE TREATMENT OF IMFLAMMATORY OR ALLERIC CONDITIONS NOVARTIS AG (CH) 2010-01-06 EP disclosed
US-20080200466-A1 Organic Compounds For the Treatment of Inflammatory or Allergic Conditions NOVARTIS AG (CH) 2008-08-21 US disclosed
EP-1891029-A1 ORGANIC COMPOUNDS FOR THE TREATMENT OF IMFLAMMATORY OR ALLERIC CONDITIONS Novartis AG (CH) 2008-02-27 EP disclosed
WO-2006125596-A1 ORGANIC COMPOUNDS FOR THE TREATMENT OF IMFLAMMATORY OR ALLERIC CONDITIONS NOVARTIS AG (CH) 2006-11-30 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-20080200466-A1 Organic Compounds For the Treatment of Inflammatory or Allergic Conditions HRH2, MRGPRX2, HRH1 TSHR 450/4885HTR2A 936/4885HTR2C 1352/4885

“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.