SCHEMBL128195

SCHEMBL128195

CC(C)CCCOCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.35
CES1 P23141 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL131389 0.86 ALDH1A1 (0.36) PLA2G2C
SCHEMBL279097 0.81 LMNA (0.36) LMNA
SCHEMBL25726092 0.79 GBA2 (0.39) LMNA
SCHEMBL9076724 0.77 CES1 (0.38) PLA2G2CCES1
SCHEMBL1192955 0.77 LMNA (0.45) LMNATSHR
SCHEMBL14826025 0.76 PLA2G2C (0.31) PLA2G2CCYP2C9TSHRCYP2C19HIF1A
SCHEMBL25468178 0.75 LMNA (0.43) LMNATSHR
SCHEMBL15823328 0.75 CES1 (0.46) PLA2G2CCES1CYP2C9TSHRCYP2C19
SCHEMBL15082606 0.75 LMNA (0.43) LMNATSHR
SCHEMBL25468179 0.75 LMNA (0.43) LMNATSHR

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 PLA2G2C 2106/4885CES1 336/4885LMNA 1679/4885

“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.