SCHEMBL1162274

SCHEMBL1162274

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.56
CYP19A1 P11511 3/20 0.47
PTGS2 P35354 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL17514802 0.72 ALDH1A1 (0.48) KDM4EGAASMN1; SMN2
SCHEMBL1162763 0.71 PTGS2 (0.34) PTGS1PTGS2KDM4EGAASMN1; SMN2
SCHEMBL6341308 0.71 PTGS1 (0.66) PTGS1CYP19A1PTGS2
SCHEMBL18735624 0.70 CYP1A2 (0.36) PTGS1PTGS2
SCHEMBL1162420 0.70 PTGS2 (0.46) PTGS1PTGS2
SCHEMBL18735628 0.68 CYP11B1 (0.36) PTGS1PTGS2
SCHEMBL31349179 0.68 PTGS1 (0.85) PTGS1CYP19A1PTGS2
SCHEMBL28321243 0.68 CYP1A1 (0.32) KDM4E
SCHEMBL6734355 0.67 PTGS1 (0.64) PTGS1CYP19A1PTGS2
SCHEMBL6739113 0.66 PTGS1 (0.63) PTGS1CYP19A1PTGS2

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-2462120-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E. I. du Pont de Nemours and Company (US) 2012-06-13 EP disclosed
US-20120135995-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-05-31 US disclosed
WO-2011017261-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 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-20120135995-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES PNPO, CYP1B1, PRXL2A PTGS1 1019/4885CYP19A1 678/4885PTGS2 1491/4885

“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.