SCHEMBL128188

SCHEMBL128188

CCc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.50
RORA P35398 3/20 0.49
NR1H3 Q13133 13/20 0.47
NR1H2 P55055 12/20 0.47
RORB Q92753 2/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL21886392 0.86 RORC (0.46) RORCRORANR1H3NR1H2HTR2A
SCHEMBL128187 0.83 RORC (0.44) RORCRORANR1H3NR1H2HTR2A
SCHEMBL1871995 0.83 NR1H2 (0.46) RORCRORANR1H3NR1H2
SCHEMBL10087869 0.82 NR1H2 (0.47) RORCRORANR1H3NR1H2
SCHEMBL10686965 0.81 NR1H2 (0.52) RORCRORANR1H3NR1H2
SCHEMBL832913 0.81 NR1H3 (0.47) RORCRORANR1H3NR1H2
SCHEMBL16105797 0.80 HTR2A (0.46) HTR2AHTR2CHTR2B
SCHEMBL14339435 0.80 KIF11 (0.47) HTR2AHTR2CHTR2B
SCHEMBL6377331 0.80 HTR2A (0.46) HTR2AHTR2CHTR2B
SCHEMBL5358396 0.80 HTR2A (0.46) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RORC 3771/4885RORA 4413/4885NR1H3 1338/4885

“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.