SCHEMBL130052

SCHEMBL130052

CC(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.40
LIPG Q9Y5X9 13/20 0.40
AAK1 Q2M2I8 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
BACE1 P56817 2/20 0.34
CSF1R P07333 1/20 0.34
ESR2 Q92731 1/20 0.33

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
SCHEMBL2408634 0.87 CSF1R (0.42) LPLLIPGCA1CA2CA9
SCHEMBL20448945 0.87 CSF1R (0.42) LPLLIPGAAK1CA1CA2
SCHEMBL29623476 0.85 CSF1R (0.43) LPLLIPGAAK1CA1CA2
SCHEMBL130370 0.85 CSF1R (0.43) LPLLIPGAAK1CA1CA2
SCHEMBL15788155 0.85 CSF1R (0.43) LPLLIPGAAK1CA1CA2
SCHEMBL16290518 0.82 LPL (0.45) LPLLIPGCA1CA2CA9
SCHEMBL1328329 0.82 LPL (0.45) LPLLIPGAAK1CA1CA2
SCHEMBL253525 0.82 LPL (0.45) LPLLIPGAAK1CA1CA2
SCHEMBL29556201 0.82 LPL (0.45) LPLLIPGAAK1CA1CA2
SCHEMBL2412157 0.82 LPL (0.41) LPLLIPGAAK1CA1CA2

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
CN-113563244-A Substituted aza five-membered ring compound and application thereof in medicine 广东东阳光药业有限公司 2021-10-29 CN 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 LPL 2319/4885LIPG 2868/4885AAK1 3973/4885

“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.