SCHEMBL129181

SCHEMBL129181

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.70
TTR P02766 4/20 0.59
FBP1 P09467 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA6 P23280 1/20 0.54
CA9 Q16790 1/20 0.54
P4HB P07237 2/20 0.53
KMO O15229 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DAO P14920 1/20 0.48
TSHR P16473 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
FOLH1 Q04609 1/20 0.47
AKR1C3 P42330 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL27604259 0.84 UNG (0.73) UNGTTRFBP1CA12CA1
SCHEMBL808972 0.84 TTR (0.79) UNGTTRFBP1CA12CA1
SCHEMBL808971 0.84 TTR (0.79) UNGTTRFBP1CA12CA1
SCHEMBL8899992 0.84 TTR (0.79) UNGTTRFBP1CA12CA1
SCHEMBL9075299 0.84 TTR (0.79) UNGTTRFBP1CA12CA1
3-Formylbenzoic Acid SCHEMBL266698 0.83 UNG (1.00) UNGTTRFBP1CA12CA1
3-Formylbenzoic Acid SCHEMBL29514486 0.83 UNG (1.00) UNGTTRFBP1CA12CA1
Isophthalic Acid SCHEMBL161262 0.81 CA12 (0.68) UNGTTRCA12CA1CA2
SCHEMBL22366552 0.81 UNG (0.68) UNGTTRFBP1CA12CA1
SCHEMBL21777904 0.81 UNG (0.68) UNGTTRFBP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
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
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN 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 UNG 4142/4885TTR 4681/4885FBP1 1161/4885

“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.