SCHEMBL128386

SCHEMBL128386

CCOC(=O)c1cccc([CH]O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL97218 0.87 POLB (0.57) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL16618744 0.87 CYP4F2 (0.54) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL16618788 0.85 CYP4F2 (0.52) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL1506219 0.85 CYP4F2 (0.52) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL11360426 0.84 PPARG (0.54) CYP4F2CYP4A11ALDH1A1POLBHPGD
SCHEMBL27295656 0.84 PPARG (0.54) CYP4F2CYP4A11ALDH1A1POLBHPGD
SCHEMBL11237903 0.84 CYP4F2 (0.51) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL11360421 0.84 PPARG (0.54) CYP4F2CYP4A11ALDH1A1POLBHPGD
SCHEMBL11237900 0.84 CYP4F2 (0.51) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL110276 0.84 CYP4F2 (0.65) CYP4F2CYP4A11CA12CA1CA2

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 CYP4F2 105/4885CYP4A11 82/4885CA12 2239/4885

“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.