SCHEMBL128187

SCHEMBL128187

[CH2]Cc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.44
RORA P35398 1/20 0.44
NR1H3 Q13133 9/20 0.44
NR1H2 P55055 8/20 0.44
CETP P11597 1/20 0.41
ACP3 P15309 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MLYCD O95822 1/20 0.40
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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 0.85 RORC (0.46) RORCRORANR1H3NR1H2CETP
SCHEMBL128188 0.83 RORC (0.50) RORCRORANR1H3NR1H2HTR2A
SCHEMBL1871995 0.81 NR1H2 (0.46) RORCRORANR1H3NR1H2CETP
SCHEMBL18242082 0.81 TAAR1 (0.43) ACP3TAAR1PGK1PGK2IDO1
SCHEMBL128465 0.80 TAAR1 (0.60) ACP3TAAR1IDO1MEN1MAPT
SCHEMBL10686965 0.80 NR1H2 (0.52) RORCRORANR1H3NR1H2CETP
SCHEMBL832913 0.80 NR1H3 (0.47) RORCRORANR1H3NR1H2MLYCD
SCHEMBL18243983 0.78 TAAR1 (0.41) CETPACP3TAAR1PGK1PGK2
SCHEMBL10680256 0.77 CYP1A2 (0.56) RORCNR1H3NR1H2MLYCDMEN1
SCHEMBL129591 0.77 CYP1A2 (0.40) CETPACP3TAAR1PGK1PGK2

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.