SCHEMBL15064091

SCHEMBL15064091

CCc1[c]cc(-c2cccc(C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
ENPP3 O14638 1/20 0.37
ACHE P22303 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
MAP4K4 O95819 1/20 0.36
AR P10275 1/20 0.36
FYN P06241 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
RAB9A P51151 3/20 0.35
PGR P06401 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
MAPK14 Q16539 1/20 0.35
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34

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
SCHEMBL15063868 0.87 CTSS (0.40) HEXAHEXBENPP3ACHEFNTA
SCHEMBL15064191 0.83 BCL2 (0.49) CTSSCTSKTP53NOTUM
SCHEMBL15063996 0.81 METAP2 (0.33)
SCHEMBL15063897 0.81 TAAR1 (0.46) MAP4K4PGR
SCHEMBL15063765 0.81 GABRG2 (0.39) CTSSCTSKRAB9APGRNPC1
SCHEMBL15063952 0.81 TAAR1 (0.46) ACHEMAP4K4PGRGRIA2GRIA4
SCHEMBL455347 0.80 ACHE (0.33) HEXAHEXBACHERAB9ANPC1
SCHEMBL457028 0.80 MAPT (0.38) HPGDSMN1; SMN2ALDH1A1TP53HSD17B10
SCHEMBL455813 0.79 MAOB (0.48) MAP4K4CLK4PGR
SCHEMBL512908 0.78 ACHE (0.42) ENPP3ACHEMAP4K4ARFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 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 (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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 HEXA 2932/4885HEXB 2506/4885ENPP3 685/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 HEXA 2932/4885HEXB 2506/4885ENPP3 685/4885

“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.