SCHEMBL14725174

SCHEMBL14725174

CC(C)c1ccc(OCCC2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.69
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 7/20 0.48
GRM2 Q14416 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL15000389 0.98 NFE2L2 (0.66) NFE2L2KMT2AMEN1HPGDGRM2
SCHEMBL15000480 0.92 NFE2L2 (0.56) NFE2L2KMT2AMEN1HPGDPSMB1
SCHEMBL18100900 0.86 NFE2L2 (0.59) NFE2L2KMT2AMEN1HPGDGRM2
SCHEMBL15472286 0.85 NFE2L2 (0.51) NFE2L2KMT2AMEN1HPGDKDM4E
SCHEMBL18925952 0.84 NFE2L2 (0.49) NFE2L2KMT2AMEN1
SCHEMBL13439690 0.83 FFAR1 (0.56) NFE2L2KMT2AMEN1HPGD
SCHEMBL2631350 0.82 NFE2L2 (0.47) NFE2L2KMT2AMEN1HRH3EPHX1
SCHEMBL20958147 0.81 NFE2L2 (1.00) NFE2L2HPGDGRM2HRH3
SCHEMBL35212115 0.81 NFE2L2 (0.70) NFE2L2KMT2AMEN1HPGDGRM2
SCHEMBL30674531 0.81 NFE2L2 (0.70) NFE2L2KMT2AMEN1HPGDGRM2

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
US-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF Libertas Bio, Inc. 2016-09-08 US disclosed
US-9382277-B2 Pyrimido-pyridazinone compounds and methods of use thereof ASANA BIOSCIENCES, LLC (US) 2016-07-05 US disclosed
US-20140221315-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-8729079-B2 Pyrimido-pyridazinone compounds and methods of use thereof ENDO PHARMACEUTICALS INC. (US) 2014-05-20 US disclosed
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC (US) 2013-02-28 US 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 (3 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-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS NFE2L2 2209/4885KMT2A 2493/4885MEN1 2624/4885
US-20140221315-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS NFE2L2 2209/4885KMT2A 2493/4885MEN1 2624/4885
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS NFE2L2 2209/4885KMT2A 2493/4885MEN1 2624/4885

“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.