SCHEMBL497571

SCHEMBL497571

CC1CCC[C]1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
KMT2A Q03164 1/20 0.41
HRH2 P25021 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NOS3 P29474 4/20 0.32
NOS1 P29475 4/20 0.32
NOS2 P35228 4/20 0.32

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
SCHEMBL1538382 0.97 KMT2A (0.44) CA1CA2CA4KMT2AHRH2
SCHEMBL6560383 0.95 CA1 (0.37) CA1CA2CA4KMT2AHRH2
SCHEMBL1814908 0.92 KMT2A (0.50) CA1CA2CA4KMT2AHRH2
SCHEMBL1032367 0.92 CA1 (0.46) CA1CA2CA4KMT2AHRH2
SCHEMBL9706086 0.92 KMT2A (0.50) CA1CA2CA4KMT2AHRH2
SCHEMBL9256198 0.90
SCHEMBL9295506 0.87 KMT2A (0.50) CA1CA2CA4KMT2AHRH2
SCHEMBL9297578 0.87 KMT2A (0.50) CA1CA2CA4KMT2AHRH2
SCHEMBL2576824 0.80 CA1 (0.40) CA1CA2CA4KMT2AHRH2
SCHEMBL497941 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963451-B2 Fused ring pyrimidine compound and pest control agent containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2018-05-08 US disclosed
US-20150368249-A1 FUSED RING PYRIMIDINE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2015-12-24 US disclosed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
EP-2493906-A1 HETEROLEPTIC CARBENE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2012-09-05 EP disclosed
EP-2418723-A1 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same Mitsubishi Chemical Corporation (JP) 2012-02-15 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
WO-2011051404-A1 HETEROLEPTIC CARBENE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2011-05-05 WO disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 EP disclosed
EP-1549668-A1 TUMOR TARGETING AGENTS AND USES THEREOF Karyon OY (FI) 2005-07-06 EP disclosed
WO-2004031221-A9 TUMOR TARGETING AGENTS AND USES THEREOF KARYON OY (FI) 2004-07-08 WO disclosed
WO-2004031219-A1 TUMOR TARGETING AGENTS AND USES THEREOF KARYON OY (FI) 2004-04-15 WO disclosed
CN-1139632-C Polypropylene resin composition and its use 三井化学株式会社 2004-02-25 CN disclosed
CN-1076031-C Polypropylene resin composition and application thereof MITSUI PETROCHEMICAL IND (JP) 2001-12-12 CN disclosed
CN-1304955-A Polypropylene resin composition and its use MITSUI CHEMICALS INC (JP) 2001-07-25 CN disclosed
CN-1102419-A Polypropylene resin composition and application thereof MITSUI PETROCHEMICAL IND (JP) 1995-05-10 CN 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-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT CA1 2852/4885CA2 2263/4885CA4 2753/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI CA1 1836/4885CA2 2256/4885CA4 2579/4885
US-20150368249-A1 FUSED RING PYRIMIDINE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME CBR3, HRH2, HRH4 CA1 4146/4885CA2 2647/4885CA4 4113/4885

“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.