SCHEMBL1162763

SCHEMBL1162763

COc1cc(OC)cc(C2=C(c3c(F)cc(F)cc3F)C(=O)OC2O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.34
ALDH1A1 P00352 2/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
CTSA P10619 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP4B1 P13584 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP3A5 P20815 1/20 0.31
CYP2A7 P20853 1/20 0.31
CYP3A7 P24462 1/20 0.31
CYP2F1 P24903 1/20 0.31

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
SCHEMBL1162274 0.71 PTGS1 (0.56) PTGS2PTGS1KDM4EGAASMN1; SMN2
SCHEMBL1162420 0.71 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL17514802 0.70 ALDH1A1 (0.48) ALDH1A1CTSAMAPTCYP1A1CYP1A2
SCHEMBL1936061 0.69 KDM4E (0.38) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL1937564 0.66 EDNRA (0.43) PTGS2ALDH1A1
SCHEMBL13843677 0.63 PGR (0.41) CASP3SENP7
SCHEMBL14324533 0.63 L3MBTL1 (0.37) ALDH1A1CTSAMAPTCYP1A2CYP2C9
SCHEMBL14323527 0.63 L3MBTL1 (0.37) ALDH1A1CTSAMAPTCYP1A2CYP2C9
SCHEMBL2353756 0.62 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL1559199 0.62 PDE3B (0.40) PTGS2AKR1C3AKR1C2CTSA

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 PTGS2 1491/4885ALDH1A1 744/4885AKR1C3 103/4885

“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.