SCHEMBL1937564

SCHEMBL1937564

COc1cc(OC)cc(C2=C(c3c(F)cc(F)cc3F)C(=O)OC2(O)c2ccccc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 16/20 0.43
EDNRB P24530 10/20 0.43
EGFR P00533 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PGR P06401 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
SCHEMBL1938691 0.89 EDNRA (0.38) EDNRAEDNRB
SCHEMBL1162420 0.82 PTGS2 (0.46) EDNRAEDNRBPTGS2PGR
SCHEMBL2353756 0.74 PTGS2 (0.53) EDNRAEDNRBPTGS2
SCHEMBL1162485 0.70 PTGS2 (0.46) EDNRAEDNRBPTGS2ALDH1A1
SCHEMBL2351267 0.69 PTGS2 (0.55) PTGS2
SCHEMBL3337047 0.67 PTGS2 (0.58) PTGS2ALDH1A1
SCHEMBL14324010 0.67 EDNRA (0.34) EDNRAEDNRBEGFRALDH1A1
SCHEMBL2354428 0.66 PTGS2 (0.61) PTGS2PGR
SCHEMBL1937718 0.66 PTGS2 (0.60) EDNRAEDNRBPTGS2
SCHEMBL1162763 0.66 PTGS2 (0.34) PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2330891-A1 FUNGICIDAL PYRIDAZINES E. I. du Pont de Nemours and Company (US) 2011-06-15 EP disclosed
US-20110136762-A1 FUNGICIDAL PYRIDAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-09 US disclosed
WO-2010036553-A1 FUNGICIDAL PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-01 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-20110136762-A1 FUNGICIDAL PYRIDAZINES PRDX1, PNPO, PRXL2A EDNRA 1243/4885EDNRB 1462/4885EGFR 4165/4885

“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.