SCHEMBL2848014

SCHEMBL2848014

COCCC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
PREP P48147 3/20 0.47
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GSK3B P49841 1/20 0.41
PDE4B Q07343 1/20 0.41
NPC1 O15118 2/20 0.40
CTNNB1 P35222 1/20 0.40
RAB9A P51151 1/20 0.40
MMP1 P03956 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL21591852 0.85 STS (0.51) MAPTPREPALDH1A1L3MBTL1GSK3B
SCHEMBL8693803 0.84 KMT2A (0.51) PREPALDH1A1L3MBTL1PDE4BNPC1
SCHEMBL5032713 0.81 GSK3B (0.59) PREPALDH1A1GSK3BLMNAALOX15
SCHEMBL7338467 0.81 PREP (0.44) MAPTPREPALDH1A1L3MBTL1GSK3B
SCHEMBL1508129 0.81 ALDH1A1 (0.48) MAPTPREPALDH1A1L3MBTL1GSK3B
SCHEMBL515747 0.77 MAPT (0.77) MAPTALDH1A1L3MBTL1GSK3BPDE4B
SCHEMBL2500559 0.77 ELANE (0.52) MAPTPREPRAB9ALMNAMAPK1
SCHEMBL19020169 0.77 PREP (0.41) MAPTPREPALDH1A1GSK3BNPC1
SCHEMBL8906116 0.76 CA1 (0.56) MAPTPREPALDH1A1RAB9ALMNA
SCHEMBL8008283 0.76 NPC1 (0.57) MAPTNPC1RAB9ATDP1

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-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 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 (2 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A MAPT 4732/4885PREP 728/4885ALDH1A1 121/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A MAPT 4589/4885PREP 639/4885ALDH1A1 197/4885

“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.